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

Systemtic Name: ethyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

InChI

InChI=1S/C25H24N2O4S2/c1-3-30-24(28)22-15-9-5-7-11-21(15)33-23(22)27-25(32)26-17-13-19-16(12-20(17)29-2)14-8-4-6-10-18(14)31-19/h4,6,8,10,12-13H,3,5,7,9,11H2,1-2H3,(H2,26,27,32)