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

Systemtic Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(2-bromophenyl)methylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-bromobenzyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H17BrN2O2S2 MolecularWeight: 425.36308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=CC=C3Br

InChI

InChI=1S/C17H17BrN2O2S2/c1-22-16(21)14-11-6-4-8-13(11)24-15(14)20-17(23)19-9-10-5-2-3-7-12(10)18/h2-3,5,7H,4,6,8-9H2,1H3,(H2,19,20,23)