2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C17H13N5O3S2 MolecularWeight: 399.44682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H13N5O3S2/c1-9(26-16-18-11-4-2-3-5-12(11)19-16)15(23)21-17-20-13-7-6-10(22(24)25)8-14(13)27-17/h2-9H,1H3,(H,18,19)(H,20,21,23)