1,3-bis[(3S,4R,5S)-5-(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)-4-oxidanyl-oxolan-3-yl]thiourea

Systemtic Name: 1,3-bis[(3S,4R,5S)-5-(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)-4-oxidanyl-oxolan-3-yl]thiourea Openeye Name: 1,3-bis[(3S,4R,5S)-5-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-hydroxy-tetrahydrofuran-3-yl]thiourea CAS Name: 1,3-bis[(3S,4R,5S)-5-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-hydroxy-3-oxolanyl]thiourea IUPAC Name: 1,3-bis[(3S,4R,5S)-5-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-hydroxyoxolan-3-yl]thiourea Traditional Name: 1,3-bis[(3S,4R,5S)-5-(4-acetyl-5-methyl-1H-pyrrol-2-yl)-4-hydroxy-tetrahydrofuran-3-yl]thiourea Formula: C23H30N4O6S MolecularWeight: 490.5725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1)C2C(C(CO2)NC(=S)NC3COC(C3O)C4=CC(=C(N4)C)C(=O)C)O)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1)[C@H]2[C@@H]([C@H](CO2)NC(=S)N[C@H]3CO[C@H]([C@@H]3O)C4=CC(=C(N4)C)C(=O)C)O)C(=O)C

InChI

InChI=1S/C23H30N4O6S/c1-9-13(11(3)28)5-15(24-9)21-19(30)17(7-32-21)26-23(34)27-18-8-33-22(20(18)31)16-6-14(12(4)29)10(2)25-16/h5-6,17-22,24-25,30-31H,7-8H2,1-4H3,(H2,26,27,34)/t17-,18-,19+,20+,21-,22-/m0/s1