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

Systemtic Name: methyl 3-chloranyl-6-[(1-methylpiperidin-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-methyl-4-piperidyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-methylpiperidin-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-methyl-4-piperidyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H20ClN3O2S2 MolecularWeight: 397.9426

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CN1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H20ClN3O2S2/c1-21-7-5-10(6-8-21)19-17(24)20-11-3-4-12-13(9-11)25-15(14(12)18)16(22)23-2/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,24)