methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxy-3-dibenzofuranyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-methoxydibenzofuran-3-yl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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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)CCCCC5)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC4=C(C5=C(S4)CCCCC5)C(=O)OC

InChI

InChI=1S/C25H24N2O4S2/c1-29-20-12-16-14-8-6-7-10-18(14)31-19(16)13-17(20)26-25(32)27-23-22(24(28)30-2)15-9-4-3-5-11-21(15)33-23/h6-8,10,12-13H,3-5,9,11H2,1-2H3,(H2,26,27,32)