3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-nitrophenyl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-nitrophenyl)propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-nitrophenyl)propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-nitrophenyl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-nitrophenyl)propionamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S2/c20-15(17-11-4-3-5-12(10-11)19(21)22)8-9-23-16-18-13-6-1-2-7-14(13)24-16/h1-7,10H,8-9H2,(H,17,20)