ethyl 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-sulfamoylbenzyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O4S3 MolecularWeight: 467.6252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H25N3O4S3/c1-2-27-19(24)17-15-6-4-3-5-7-16(15)29-18(17)23-20(28)22-12-13-8-10-14(11-9-13)30(21,25)26/h8-11H,2-7,12H2,1H3,(H2,21,25,26)(H2,22,23,28)