N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-nitroanilino)butanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-nitroanilino)butanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-nitroanilino)butanamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-nitroanilino)butyramide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-12-20-16-9-6-14(11-17(16)26-12)21-18(23)3-2-10-19-13-4-7-15(8-5-13)22(24)25/h4-9,11,19H,2-3,10H2,1H3,(H,21,23)