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

Systemtic Name: methyl 3-chloranyl-6-[(4-methylpiperazin-1-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-methylpiperazin-1-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-methylpiperazin-1-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-methylpiperazino)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H19ClN4O2S2 MolecularWeight: 398.93066

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CN1CCN(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C16H19ClN4O2S2/c1-20-5-7-21(8-6-20)19-16(24)18-10-3-4-11-12(9-10)25-14(13(11)17)15(22)23-2/h3-4,9H,5-8H2,1-2H3,(H2,18,19,24)