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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

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