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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-12-4-7-14(8-5-12)25-10-2-3-17(22)20-18-19-15-9-6-13(21(23)24)11-16(15)26-18/h4-9,11H,2-3,10H2,1H3,(H,19,20,22)