4-(4-methylphenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]butanamide Openeye Name: N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]butanamide Traditional Name: N-(5-nosylthiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C20H19N3O5S3 MolecularWeight: 477.57696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S3/c1-14-4-8-16(9-5-14)29-12-2-3-18(24)22-20-21-13-19(30-20)31(27,28)17-10-6-15(7-11-17)23(25)26/h4-11,13H,2-3,12H2,1H3,(H,21,22,24)