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

Systemtic Name: ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethyl-6-methylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C

InChI

InChI=1S/C21H26N2O2S2/c1-4-14-10-8-9-13(3)18(14)22-21(26)23-19-17(20(24)25-5-2)15-11-6-7-12-16(15)27-19/h8-10H,4-7,11-12H2,1-3H3,(H2,22,23,26)