(3S)-N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)nipecotamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18ClN3O2S/c21-15-9-7-13(8-10-15)19(26)24-11-3-4-14(12-24)18(25)23-20-22-16-5-1-2-6-17(16)27-20/h1-2,5-10,14H,3-4,11-12H2,(H,22,23,25)/t14-/m0/s1