ethyl 2-(pyrazin-2-ylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(pyrazin-2-ylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(pyrazin-2-ylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyrazin-2-ylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-(pyrazin-2-ylthiocarbamoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H22N4O2S2 MolecularWeight: 390.52288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=NC=CN=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=NC=CN=C3

InChI

InChI=1S/C18H22N4O2S2/c1-2-24-17(23)15-12-7-5-3-4-6-8-13(12)26-16(15)22-18(25)21-14-11-19-9-10-20-14/h9-11H,2-8H2,1H3,(H2,20,21,22,25)