3-(2-ethylphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2-ethylphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(2-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-ethylphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(2-ethylphenyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)C)NC3=O

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)C)NC3=O

InChI

InChI=1S/C27H27N3OS/c1-3-21-11-7-8-12-24(21)29-27(32)30(17-20-9-5-4-6-10-20)18-23-16-22-15-19(2)13-14-25(22)28-26(23)31/h4-16H,3,17-18H2,1-2H3,(H,28,31)(H,29,32)