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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C(C=C4)OC)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C(C=C4)OC)NC3=O)C

InChI

InChI=1S/C27H27N3O2S/c1-18-9-12-24(19(2)13-18)29-27(33)30(16-20-7-5-4-6-8-20)17-22-14-21-10-11-23(32-3)15-25(21)28-26(22)31/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)