2-(4-bromanylbutyl)-4-[2-(phenylmethylsulfanyl)phenyl]butane-1,3-diamine

Systemtic Name: 2-(4-bromanylbutyl)-4-[2-(phenylmethylsulfanyl)phenyl]butane-1,3-diamine Openeye Name: 4-(2-benzylsulfanylphenyl)-2-(4-bromobutyl)butane-1,3-diamine CAS Name: 2-(4-bromobutyl)-4-[2-(phenylmethylthio)phenyl]butane-1,3-diamine IUPAC Name: 4-(2-benzylsulfanylphenyl)-2-(4-bromobutyl)butane-1,3-diamine Traditional Name: [2-[1-amino-2-[2-(benzylthio)phenyl]ethyl]-6-bromo-hexyl]amine Formula: C21H29BrN2S MolecularWeight: 421.43736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2CC(C(CCCCBr)CN)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2CC(C(CCCCBr)CN)N

InChI

InChI=1S/C21H29BrN2S/c22-13-7-6-11-19(15-23)20(24)14-18-10-4-5-12-21(18)25-16-17-8-2-1-3-9-17/h1-5,8-10,12,19-20H,6-7,11,13-16,23-24H2