ethyl 4-chloranyl-2-[4-[3-[(4-methylphenyl)carbamothioylamino]propyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 4-chloranyl-2-[4-[3-[(4-methylphenyl)carbamothioylamino]propyl]piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-chloro-2-[4-[3-(p-tolylcarbamothioylamino)propyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-chloro-2-[4-[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]propyl]-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-[4-[3-[(4-methylphenyl)carbamothioylamino]propyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-chloro-2-[4-[3-(p-tolylthiocarbamoylamino)propyl]piperazin-4-ium-1-yl]benzoic acid ethyl ester Formula: C24H32ClN4O2S+ MolecularWeight: 476.05448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CCCNC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CCCNC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C24H31ClN4O2S/c1-3-31-23(30)21-10-7-19(25)17-22(21)29-15-13-28(14-16-29)12-4-11-26-24(32)27-20-8-5-18(2)6-9-20/h5-10,17H,3-4,11-16H2,1-2H3,(H2,26,27,32)/p+1