N-[2-(1H-benzimidazol-2-yl)ethyl]-7-oxidanylidene-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-7-oxidanylidene-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-7-oxo-2-(1-oxopropylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-7-keto-2-propionamido-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C(=O)CC(C2)C(=O)NCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C(=O)CC(C2)C(=O)NCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5O3S/c1-2-17(27)25-20-24-14-9-11(10-15(26)18(14)29-20)19(28)21-8-7-16-22-12-5-3-4-6-13(12)23-16/h3-6,11H,2,7-10H2,1H3,(H,21,28)(H,22,23)(H,24,25,27)