4-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S2/c1-2-12-3-5-13(6-4-12)15-10-30-20(22-15)23-18(25)11-29-17-8-7-14(19(21)26)9-16(17)24(27)28/h3-10H,2,11H2,1H3,(H2,21,26)(H,22,23,25)