N1'-[3-(aminomethyl)-4-(3-phenylpropoxy)phenyl]-1-ethylsulfanyl-ethane-1,1-diamine

Systemtic Name: N1'-[3-(aminomethyl)-4-(3-phenylpropoxy)phenyl]-1-ethylsulfanyl-ethane-1,1-diamine Openeye Name: N1'-[3-(aminomethyl)-4-(3-phenylpropoxy)phenyl]-1-ethylsulfanyl-ethane-1,1-diamine CAS Name: N1'-[3-(aminomethyl)-4-(3-phenylpropoxy)phenyl]-1-(ethylthio)ethane-1,1-diamine IUPAC Name: 1-N'-[3-(aminomethyl)-4-(3-phenylpropoxy)phenyl]-1-ethylsulfanylethane-1,1-diamine Traditional Name: [1-amino-1-(ethylthio)ethyl]-[3-(aminomethyl)-4-(3-phenylpropoxy)phenyl]amine Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(N)NC1=CC(=C(C=C1)OCCCC2=CC=CC=C2)CN

Isomeric SMILES

CCSC(C)(N)NC1=CC(=C(C=C1)OCCCC2=CC=CC=C2)CN

InChI

InChI=1S/C20H29N3OS/c1-3-25-20(2,22)23-18-11-12-19(17(14-18)15-21)24-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14,23H,3,7,10,13,15,21-22H2,1-2H3