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

Systemtic Name: methyl 3-chloranyl-6-[(diphenylmethyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-(benzhydrylcarbamothioylamino)-3-chloro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(benzhydrylcarbamothioylamino)-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-(benzhydrylthiocarbamoylamino)-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)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

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