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

Systemtic Name: methyl 3-chloranyl-6-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]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)NC3=CC=C(C=C3)CN4CCCCC4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)CN4CCCCC4)Cl

InChI

InChI=1S/C23H24ClN3O2S2/c1-29-22(28)21-20(24)18-10-9-17(13-19(18)31-21)26-23(30)25-16-7-5-15(6-8-16)14-27-11-3-2-4-12-27/h5-10,13H,2-4,11-12,14H2,1H3,(H2,25,26,30)