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

Systemtic Name: methyl 2-[(pyridin-4-ylcarbonylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(pyridine-4-carbonylamino)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(pyridine-4-carbonylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(isonicotinamidothiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H18N4O3S2 MolecularWeight: 390.47982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H18N4O3S2/c1-24-16(23)13-11-4-2-3-5-12(11)26-15(13)19-17(25)21-20-14(22)10-6-8-18-9-7-10/h6-9H,2-5H2,1H3,(H,20,22)(H2,19,21,25)