1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-[(1R)-1-phenylethyl]thiourea

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-[(1R)-1-phenylethyl]thiourea Openeye Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea CAS Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea IUPAC Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea Traditional Name: 1-(3-hydroxypropyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-16-8-6-11-19-14-20(22(28)25-21(16)19)15-26(12-7-13-27)23(29)24-17(2)18-9-4-3-5-10-18/h3-6,8-11,14,17,27H,7,12-13,15H2,1-2H3,(H,24,29)(H,25,28)/t17-/m1/s1