1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Traditional Name: 1-benzyl-3-(2-ethylphenyl)-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C(C=C4NC3=O)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C(C=C4NC3=O)C)C

InChI

InChI=1S/C28H29N3OS/c1-4-22-12-8-9-13-25(22)30-28(33)31(17-21-10-6-5-7-11-21)18-23-16-24-20(3)14-19(2)15-26(24)29-27(23)32/h5-16H,4,17-18H2,1-3H3,(H,29,32)(H,30,33)