1-[2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylsulfanyl]ethanoylamino]-3-phenyl-urea

Systemtic Name: 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylsulfanyl]ethanoylamino]-3-phenyl-urea Openeye Name: 1-[[2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylsulfanyl]acetyl]amino]-3-phenyl-urea CAS Name: 1-[[2-[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propylthio]-1-oxoethyl]amino]-3-phenylurea IUPAC Name: 1-[[2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylsulfanyl]acetyl]amino]-3-phenylurea Traditional Name: 1-[[2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylthio]acetyl]amino]-3-phenyl-urea Formula: C22H29ClN5O2S+ MolecularWeight: 463.01596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCSCC(=O)NNC(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCSCC(=O)NNC(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN5O2S/c23-18-6-4-9-20(16-18)28-13-11-27(12-14-28)10-5-15-31-17-21(29)25-26-22(30)24-19-7-2-1-3-8-19/h1-4,6-9,16H,5,10-15,17H2,(H,25,29)(H2,24,26,30)/p+1