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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C(C=C3)OC)NC2=O)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C(C=C3)OC)NC2=O)C(=S)NCC4=CC=CC=C4

InChI

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