methyl 5-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N4O4S3 MolecularWeight: 468.61326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C(=O)OC

InChI

InChI=1S/C19H24N4O4S3/c1-13-12-16(18(24)27-3)17(29-13)21-19(28)20-14-4-6-15(7-5-14)30(25,26)23-10-8-22(2)9-11-23/h4-7,12H,8-11H2,1-3H3,(H2,20,21,28)