4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C14H14N4O4S2/c1-7-8(2)24-14(16-7)17-12(19)6-23-11-4-3-9(13(15)20)5-10(11)18(21)22/h3-5H,6H2,1-2H3,(H2,15,20)(H,16,17,19)