methyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(3-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-chlorophenyl)ethylthiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H23ClN2O2S2 MolecularWeight: 422.99182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O2S2/c1-12-6-7-15-16(10-12)27-18(17(15)19(24)25-2)23-20(26)22-9-8-13-4-3-5-14(21)11-13/h3-5,11-12H,6-10H2,1-2H3,(H2,22,23,26)