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

Systemtic Name: methyl 2-[[(4-bromophenyl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-bromobenzoyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-bromobenzoyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(4-bromobenzoyl)amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H16BrN3O3S2 MolecularWeight: 454.36124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3O3S2/c1-24-16(23)13-11-3-2-4-12(11)26-15(13)19-17(25)21-20-14(22)9-5-7-10(18)8-6-9/h5-8H,2-4H2,1H3,(H,20,22)(H2,19,21,25)