N-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]thiophene-3-carboxamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCNC(=O)C2=CSC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCNC(=O)C2=CSC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O2S2/c24-18(7-9-21-19(25)15-8-11-26-13-15)23-10-3-4-14(12-23)20-22-16-5-1-2-6-17(16)27-20/h1-2,5-6,8,11,13-14H,3-4,7,9-10,12H2,(H,21,25)/t14-/m0/s1