methyl 2-(thiophen-2-ylmethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(thiophen-2-ylmethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(2-thienylmethylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(thiophen-2-ylmethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-thenylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S3 MolecularWeight: 366.52132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC3=CC=CS3

InChI

InChI=1S/C16H18N2O2S3/c1-20-15(19)13-11-6-2-3-7-12(11)23-14(13)18-16(21)17-9-10-5-4-8-22-10/h4-5,8H,2-3,6-7,9H2,1H3,(H2,17,18,21)