methyl 3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H25N3O4S3 MolecularWeight: 467.6252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(SC=C3)C(=O)OC)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(SC=C3)C(=O)OC)C

InChI

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