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

Systemtic Name: methyl 3-chloranyl-6-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(1-benzyl-4-piperidyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(1-benzylpiperidin-4-yl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(1-benzyl-4-piperidyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C23H24ClN3O2S2 MolecularWeight: 474.03856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H24ClN3O2S2/c1-29-22(28)21-20(24)18-8-7-17(13-19(18)31-21)26-23(30)25-16-9-11-27(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H2,25,26,30)