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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-[4-(4-nitro-2-thiophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]butyramide Formula: C18H17N3O4S3 MolecularWeight: 435.54028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC(=CS3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC(=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S3/c1-25-13-4-6-14(7-5-13)26-8-2-3-17(22)20-18-19-15(11-28-18)16-9-12(10-27-16)21(23)24/h4-7,9-11H,2-3,8H2,1H3,(H,19,20,22)