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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-ethanoyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-1H-pyrrole-2-carboxamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O2S/c1-11(21)12-9-14(19-10-12)17(22)18-8-4-7-16-20-13-5-2-3-6-15(13)23-16/h2-3,5-6,9-10,19H,4,7-8H2,1H3,(H,18,22)