1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-phenethyl-thiourea

Systemtic Name: 1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-phenethyl-thiourea Openeye Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-phenethyl-3-(p-tolyl)thiourea CAS Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-phenethylthiourea IUPAC Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-phenethylthiourea Traditional Name: 1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-1-phenethyl-3-(p-tolyl)thiourea Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)CC3=CC4=C(C=C(C=C4)OC)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)CC3=CC4=C(C=C(C=C4)OC)NC3=O

InChI

InChI=1S/C27H27N3O2S/c1-19-8-11-23(12-9-19)28-27(33)30(15-14-20-6-4-3-5-7-20)18-22-16-21-10-13-24(32-2)17-25(21)29-26(22)31/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,33)(H,29,31)