N-[3-(1,3-benzothiazol-2-yl)propyl]-4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O2S/c1-11-17(13(3)23)12(2)21-18(11)19(24)20-10-6-9-16-22-14-7-4-5-8-15(14)25-16/h4-5,7-8,21H,6,9-10H2,1-3H3,(H,20,24)