methyl 3-chloranyl-6-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24ClN3O4S3 MolecularWeight: 538.10236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C23H24ClN3O4S3/c1-14-9-11-27(12-10-14)34(29,30)17-6-3-15(4-7-17)25-23(32)26-16-5-8-18-19(13-16)33-21(20(18)24)22(28)31-2/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,32)