methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(2-methoxy-3-dibenzofuranyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-methoxydibenzofuran-3-yl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC4=C(C5=C(S4)CCCC5)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC4=C(C5=C(S4)CCCC5)C(=O)OC

InChI

InChI=1S/C24H22N2O4S2/c1-28-19-11-15-13-7-3-5-9-17(13)30-18(15)12-16(19)25-24(31)26-22-21(23(27)29-2)14-8-4-6-10-20(14)32-22/h3,5,7,9,11-12H,4,6,8,10H2,1-2H3,(H2,25,26,31)