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

Systemtic Name: methyl 3-chloranyl-6-[[2-(phenylmethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(2-benzylphenyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(phenylmethyl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2-benzylphenyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(2-benzylphenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C24H19ClN2O2S2 MolecularWeight: 467.00286

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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=C3CC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H19ClN2O2S2/c1-29-23(28)22-21(25)18-12-11-17(14-20(18)31-22)26-24(30)27-19-10-6-5-9-16(19)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H2,26,27,30)