methyl 3-chloranyl-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-phenylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-phenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-phenylphenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H17ClN2O2S2 MolecularWeight: 452.97628

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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=CC=C3C4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClN2O2S2/c1-28-22(27)21-20(24)17-12-11-15(13-19(17)30-21)25-23(29)26-18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-13H,1H3,(H2,25,26,29)