N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21N3O2S2/c28-22(21-8-4-14-30-21)25-18-11-9-16(10-12-18)24(29)27-13-3-5-17(15-27)23-26-19-6-1-2-7-20(19)31-23/h1-2,4,6-12,14,17H,3,5,13,15H2,(H,25,28)/t17-/m0/s1