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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)C

InChI

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