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

Systemtic Name: N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]butanamide CAS Name: N-[4-(4-nitro-2-thiophenyl)-2-thiazolyl]-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(benzylthio)-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]butyramide Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S3/c22-17(7-4-8-25-10-13-5-2-1-3-6-13)20-18-19-15(12-27-18)16-9-14(11-26-16)21(23)24/h1-3,5-6,9,11-12H,4,7-8,10H2,(H,19,20,22)