1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NCC3CCCO3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C21H29N3O3S/c1-2-15-6-7-19-16(11-15)12-17(20(26)23-19)14-24(8-4-9-25)21(28)22-13-18-5-3-10-27-18/h6-7,11-12,18,25H,2-5,8-10,13-14H2,1H3,(H,22,28)(H,23,26)/t18-/m1/s1