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

Systemtic Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]butanamide CAS Name: N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(benzylthio)-N-(5-nosylthiazol-2-yl)butyramide Formula: C20H19N3O5S3 MolecularWeight: 477.57696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S3/c24-18(7-4-12-29-14-15-5-2-1-3-6-15)22-20-21-13-19(30-20)31(27,28)17-10-8-16(9-11-17)23(25)26/h1-3,5-6,8-11,13H,4,7,12,14H2,(H,21,22,24)