methyl 3-chloranyl-6-[(4-phenethylpiperazin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-phenethylpiperazin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-phenethylpiperazine-1-carbothioyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-phenethyl-1-piperazinyl)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-phenethylpiperazine-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-phenethylpiperazine-1-carbothioyl)amino]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)N3CCN(CC3)CCC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)CCC4=CC=CC=C4)Cl

InChI

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