ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethyl-6-methylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)C

InChI

InChI=1S/C22H28N2O2S2/c1-4-15-11-9-10-14(3)19(15)23-22(27)24-20-18(21(25)26-5-2)16-12-7-6-8-13-17(16)28-20/h9-11H,4-8,12-13H2,1-3H3,(H2,23,24,27)