N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(isopropylamino)-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(isopropylamino)-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-11(2)19-15(22)10-18-16(23)12-5-6-13-14(9-12)24-17(20-13)21-7-3-4-8-21/h3-9,11H,10H2,1-2H3,(H,18,23)(H,19,22)