methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H22N2O2S2/c1-24-19(23)17-15-8-4-5-9-16(15)26-18(17)21-20(25)22-11-10-13-6-2-3-7-14(13)12-22/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,25)