N-(4-dimethylaminophenyl)-1-methyl-4-[(phenylmethyl)-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl]amino]piperidine-4-carboxamide

Systemtic Name: N-(4-dimethylaminophenyl)-1-methyl-4-[(phenylmethyl)-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl]amino]piperidine-4-carboxamide Openeye Name: 4-[benzyl-[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]amino]-N-(4-dimethylaminophenyl)-1-methyl-piperidine-4-carboxamide CAS Name: N-(4-dimethylaminophenyl)-1-methyl-4-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-(phenylmethyl)amino]-4-piperidinecarboxamide IUPAC Name: 4-[benzyl-[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]amino]-N-(4-dimethylaminophenyl)-1-methylpiperidine-4-carboxamide Traditional Name: 4-[benzyl-[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]amino]-N-(4-dimethylaminophenyl)-1-methyl-isonipecotamide Formula: C33H40N6O2S MolecularWeight: 584.7747

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(=O)NC2=CC=C(C=C2)N(C)C)N(CC3=CC=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

Isomeric SMILES

CN1CCC(CC1)(C(=O)NC2=CC=C(C=C2)N(C)C)N(CC3=CC=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

InChI

InChI=1S/C33H40N6O2S/c1-36(2)28-16-14-27(15-17-28)34-31(41)33(18-20-37(3)21-19-33)39(22-25-10-6-4-7-11-25)30(40)24-38-23-29(35-32(38)42)26-12-8-5-9-13-26/h4-17,29H,18-24H2,1-3H3,(H,34,41)(H,35,42)