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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)OC)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)OC)C(=S)NCC4=CC=CC=C4

InChI

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