methyl 2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-morpholinosulfonylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O5S3 MolecularWeight: 481.60872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H23N3O5S3/c1-27-19(24)17-15-3-2-4-16(15)30-18(17)22-20(29)21-13-5-7-14(8-6-13)31(25,26)23-9-11-28-12-10-23/h5-8H,2-4,9-12H2,1H3,(H2,21,22,29)