3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolyl)propanamide CAS Name: 3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolyl)propionamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c1-11-2-4-12(5-3-11)6-9-16(21)19-17-18-14-8-7-13(20(22)23)10-15(14)24-17/h2-5,7-8,10H,6,9H2,1H3,(H,18,19,21)