4-(4-methylphenyl)sulfanyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]butanamide Openeye Name: N-[4-(4-nitro-2-thienyl)thiazol-2-yl]-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-[4-(4-nitro-2-thiophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]butanamide Traditional Name: N-[4-(4-nitro-2-thienyl)thiazol-2-yl]-4-(p-tolylthio)butyramide Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC(=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC(=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S3/c1-12-4-6-14(7-5-12)25-8-2-3-17(22)20-18-19-15(11-27-18)16-9-13(10-26-16)21(23)24/h4-7,9-11H,2-3,8H2,1H3,(H,19,20,22)