2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-N-(3-nitrophenyl)propanamide

Systemtic Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-N-(3-nitrophenyl)propanamide Openeye Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-N-(3-nitrophenyl)propanamide CAS Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-N-(3-nitrophenyl)propionamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C17H16N4O3S2/c1-10(16(22)19-11-4-3-5-13(8-11)21(23)24)18-12-6-7-14-15(9-12)26-17(20-14)25-2/h3-10,18H,1-2H3,(H,19,22)