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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S2/c1-25-17-20-13-7-6-11(10-15(13)26-17)19-16(22)8-9-18-12-4-2-3-5-14(12)21(23)24/h2-7,10,18H,8-9H2,1H3,(H,19,22)