N-(2-azanylethyl)-N'-(5-chloranyl-2-phenylsulfanyl-phenyl)propane-1,3-diamine

Systemtic Name: N-(2-azanylethyl)-N'-(5-chloranyl-2-phenylsulfanyl-phenyl)propane-1,3-diamine Openeye Name: N-(2-aminoethyl)-N'-(5-chloro-2-phenylsulfanyl-phenyl)propane-1,3-diamine CAS Name: N-(2-aminoethyl)-N'-[5-chloro-2-(phenylthio)phenyl]propane-1,3-diamine IUPAC Name: N-(2-aminoethyl)-N'-(5-chloro-2-phenylsulfanylphenyl)propane-1,3-diamine Traditional Name: 2-aminoethyl-[3-[5-chloro-2-(phenylthio)anilino]propyl]amine Formula: C17H22ClN3S MolecularWeight: 335.89468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)NCCCNCCN

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)NCCCNCCN

InChI

InChI=1S/C17H22ClN3S/c18-14-7-8-17(22-15-5-2-1-3-6-15)16(13-14)21-11-4-10-20-12-9-19/h1-3,5-8,13,20-21H,4,9-12,19H2