ethyl 4-[4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-[(2-cyanophenyl)thio]benzoyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C26H30N4O4S/c1-2-34-26(33)30-16-13-20(14-17-30)29-24(31)12-7-15-28-25(32)21-9-4-6-11-23(21)35-22-10-5-3-8-19(22)18-27/h3-6,8-11,20H,2,7,12-17H2,1H3,(H,28,32)(H,29,31)