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

Systemtic Name: methyl 5-ethyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[(3-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(3-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O4S3 MolecularWeight: 481.65178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C)C(=O)OC

InChI

InChI=1S/C21H27N3O4S3/c1-4-16-12-18(20(25)28-3)19(30-16)23-21(29)22-15-7-9-17(10-8-15)31(26,27)24-11-5-6-14(2)13-24/h7-10,12,14H,4-6,11,13H2,1-3H3,(H2,22,23,29)