1-butyl-3-[6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]thiourea

Systemtic Name: 1-butyl-3-[6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]thiourea Openeye Name: 1-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-3-butyl-thiourea CAS Name: 1-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]-3-butylthiourea IUPAC Name: 1-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-3-butylthiourea Traditional Name: 1-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-3-butyl-thiourea Formula: C32H38N2O10S MolecularWeight: 642.71652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1CC(OC(C1O)C)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O

Isomeric SMILES

CCCCNC(=S)NC1CC(OC(C1O)C)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O

InChI

InChI=1S/C32H38N2O10S/c1-5-6-10-33-31(45)34-18-11-21(43-14(2)26(18)36)44-20-13-32(41,15(3)35)12-17-23(20)30(40)25-24(28(17)38)27(37)16-8-7-9-19(42-4)22(16)29(25)39/h7-9,14,18,20-21,26,36,38,40-41H,5-6,10-13H2,1-4H3,(H2,33,34,45)/t14?,18?,20-,21?,26?,32-/m0/s1