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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-nitroanilino)propanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-nitroanilino)propanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-nitroanilino)propanamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-nitroanilino)propionamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-11-19-14-7-6-12(10-16(14)25-11)20-17(22)8-9-18-13-4-2-3-5-15(13)21(23)24/h2-7,10,18H,8-9H2,1H3,(H,20,22)