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

Systemtic Name: ethyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H24N2O4S2 MolecularWeight: 516.63116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

InChI

InChI=1S/C28H24N2O4S2/c1-3-33-27(31)21-14-18(13-17-9-5-4-6-10-17)36-26(21)30-28(35)29-22-16-24-20(15-25(22)32-2)19-11-7-8-12-23(19)34-24/h4-12,14-16H,3,13H2,1-2H3,(H2,29,30,35)