methyl 4-(1-benzothiophen-5-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(1-benzothiophen-5-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(benzothiophen-5-ylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[[[(1-benzothiophen-5-ylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1-benzothiophen-5-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(benzothiophen-5-ylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)SC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)SC=C3

InChI

InChI=1S/C18H14N2O3S2/c1-23-17(22)12-4-2-11(3-5-12)16(21)20-18(24)19-14-6-7-15-13(10-14)8-9-25-15/h2-10H,1H3,(H2,19,20,21,24)