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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-methylphenyl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(p-tolylmethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methylphenyl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 3-benzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(4-methylbenzyl)thiourea Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)C)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)C)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-3-33-25-13-14-26-23(16-25)15-24(27(32)30-26)19-31(18-22-11-9-20(2)10-12-22)28(34)29-17-21-7-5-4-6-8-21/h4-16H,3,17-19H2,1-2H3,(H,29,34)(H,30,32)