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

Systemtic Name: ethyl 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O3S2/c1-2-27-20(26)18-14-8-4-6-10-16(14)29-19(18)24-21(28)23-17(25)12-11-13-7-3-5-9-15(13)22/h3,5,7,9H,2,4,6,8,10-12H2,1H3,(H2,23,24,25,28)