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

Systemtic Name: methyl 3-chloranyl-6-[(4-phenoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-phenoxyphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-phenoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-phenoxyphenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H17ClN2O3S2 MolecularWeight: 468.97568

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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)OC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClN2O3S2/c1-28-22(27)21-20(24)18-12-9-15(13-19(18)31-21)26-23(30)25-14-7-10-17(11-8-14)29-16-5-3-2-4-6-16/h2-13H,1H3,(H2,25,26,30)