N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Openeye Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide CAS Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide IUPAC Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)NC2CCCN(C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N[C@H]2CCCN(C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H22N4OS/c1-12-10-13(2)20-17(12)18(24)21-14-6-5-9-23(11-14)19-22-15-7-3-4-8-16(15)25-19/h3-4,7-8,10,14,20H,5-6,9,11H2,1-2H3,(H,21,24)/t14-/m0/s1