2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15N3O4S2/c1-10(25-17-19-12-5-3-4-6-15(12)26-17)16(21)18-13-9-11(20(22)23)7-8-14(13)24-2/h3-10H,1-2H3,(H,18,21)