N-[3-[4-(2-azanylethyl)piperazin-1-yl]propyl]-5-chloranyl-2-phenylsulfanyl-aniline

Systemtic Name: N-[3-[4-(2-azanylethyl)piperazin-1-yl]propyl]-5-chloranyl-2-phenylsulfanyl-aniline Openeye Name: N-[3-[4-(2-aminoethyl)piperazin-1-yl]propyl]-5-chloro-2-phenylsulfanyl-aniline CAS Name: N-[3-[4-(2-aminoethyl)-1-piperazinyl]propyl]-5-chloro-2-(phenylthio)aniline IUPAC Name: N-[3-[4-(2-aminoethyl)piperazin-1-yl]propyl]-5-chloro-2-phenylsulfanylaniline Traditional Name: 3-[4-(2-aminoethyl)piperazino]propyl-[5-chloro-2-(phenylthio)phenyl]amine Formula: C21H29ClN4S MolecularWeight: 404.99976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C=CC(=C2)Cl)SC3=CC=CC=C3)CCN

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C=CC(=C2)Cl)SC3=CC=CC=C3)CCN

InChI

InChI=1S/C21H29ClN4S/c22-18-7-8-21(27-19-5-2-1-3-6-19)20(17-18)24-10-4-11-25-13-15-26(12-9-23)16-14-25/h1-3,5-8,17,24H,4,9-16,23H2