2-(1,3-benzothiazol-2-ylamino)-N-(4-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-10-7-8-12(9-14(10)21(23)24)19-16(22)11(2)18-17-20-13-5-3-4-6-15(13)25-17/h3-9,11H,1-2H3,(H,18,20)(H,19,22)