methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxy-3-dibenzofuranyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-methoxydibenzofuran-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H22N2O4S2 MolecularWeight: 502.60458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C27H22N2O4S2/c1-31-24-14-19-18-10-6-7-11-22(18)33-23(19)15-21(24)28-27(34)29-25-20(26(30)32-2)13-17(35-25)12-16-8-4-3-5-9-16/h3-11,13-15H,12H2,1-2H3,(H2,28,29,34)