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

Systemtic Name: methyl 3-chloranyl-6-[(4-phenylmethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-benzyloxyphenyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-phenylmethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-benzoxyphenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C24H19ClN2O3S2 MolecularWeight: 483.00226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H19ClN2O3S2/c1-29-23(28)22-21(25)19-12-9-17(13-20(19)32-22)27-24(31)26-16-7-10-18(11-8-16)30-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,26,27,31)