S-[2-[(2-chlorophenyl)carbonylamino]ethyl] 2-azanyl-2-cyclopropyl-2-(1-ethanoylpiperidin-4-yl)ethanethioate

Systemtic Name: S-[2-[(2-chlorophenyl)carbonylamino]ethyl] 2-azanyl-2-cyclopropyl-2-(1-ethanoylpiperidin-4-yl)ethanethioate Openeye Name: S-[2-[(2-chlorobenzoyl)amino]ethyl] 2-(1-acetyl-4-piperidyl)-2-amino-2-cyclopropyl-ethanethioate CAS Name: 2-(1-acetyl-4-piperidinyl)-2-amino-2-cyclopropylethanethioic acid S-[2-[[(2-chlorophenyl)-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[(2-chlorobenzoyl)amino]ethyl] 2-(1-acetylpiperidin-4-yl)-2-amino-2-cyclopropylethanethioate Traditional Name: 2-(1-acetyl-4-piperidyl)-2-amino-2-cyclopropyl-ethanethioic acid S-[2-[(2-chlorobenzoyl)amino]ethyl] ester Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(C2CC2)(C(=O)SCCNC(=O)C3=CC=CC=C3Cl)N

Isomeric SMILES

CC(=O)N1CCC(CC1)C(C2CC2)(C(=O)SCCNC(=O)C3=CC=CC=C3Cl)N

InChI

InChI=1S/C21H28ClN3O3S/c1-14(26)25-11-8-16(9-12-25)21(23,15-6-7-15)20(28)29-13-10-24-19(27)17-4-2-3-5-18(17)22/h2-5,15-16H,6-13,23H2,1H3,(H,24,27)