N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-1-(4-chlorobenzoyl)nipecotamide Formula: C19H21ClN4O3S2 MolecularWeight: 452.97804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)SCC(=O)N

InChI

InChI=1S/C19H21ClN4O3S2/c1-11-18(28-10-15(21)25)29-19(22-11)23-16(26)13-3-2-8-24(9-13)17(27)12-4-6-14(20)7-5-12/h4-7,13H,2-3,8-10H2,1H3,(H2,21,25)(H,22,23,26)