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

Systemtic Name: methyl 6-[bis(phenylmethyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(dibenzylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 6-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(dibenzylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(dibenzylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C25H21ClN2O2S2 MolecularWeight: 481.02944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H21ClN2O2S2/c1-30-24(29)23-22(26)20-13-12-19(14-21(20)32-23)27-25(31)28(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,27,31)