ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O2S2/c1-2-26-21(25)19-17-10-4-3-5-11-18(17)28-20(19)23-22(27)24-13-12-15-8-6-7-9-16(15)14-24/h6-9H,2-5,10-14H2,1H3,(H,23,27)