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

Systemtic Name: methyl 5-methyl-2-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(2-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O4S3 MolecularWeight: 467.6252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)C)C(=O)OC

InChI

InChI=1S/C20H25N3O4S3/c1-13-6-4-5-11-23(13)30(25,26)16-9-7-15(8-10-16)21-20(28)22-18-17(19(24)27-3)12-14(2)29-18/h7-10,12-13H,4-6,11H2,1-3H3,(H2,21,22,28)