ethyl 4,5-dimethyl-2-[2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(4-methylpiperazin-4-ium-1-carbothioyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H26N3O3S3+ MolecularWeight: 416.60164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H25N3O3S3/c1-5-23-16(22)14-11(2)12(3)26-15(14)18-13(21)10-25-17(24)20-8-6-19(4)7-9-20/h5-10H2,1-4H3,(H,18,21)/p+1