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

Systemtic Name: methyl 2-[(phenylmethyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(benzylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S2/c1-23-18(22)16-14-10-6-3-7-11-15(14)25-17(16)21-19(24)20-12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H2,20,21,24)