1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(o-tolyl)ethyl]thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]thiourea Traditional Name: 3-benzyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-[2-(o-tolyl)ethyl]thiourea Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O3S/c1-20-9-7-8-12-22(20)13-14-32(29(36)30-18-21-10-5-4-6-11-21)19-24-15-23-16-26(34-2)27(35-3)17-25(23)31-28(24)33/h4-12,15-17H,13-14,18-19H2,1-3H3,(H,30,36)(H,31,33)