ethyl 5-methyl-2-[(phenylmethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(phenylmethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2S2/c1-3-24-19(23)17-15-11-13(2)9-10-16(15)26-18(17)22-20(25)21-12-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H2,21,22,25)