3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-p-phenetyl-thiourea Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)C)NC3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)C)NC3=O

InChI

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