4-[3-[4-(dimethylamino)butoxy]phenyl]sulfanylbenzene-1,2-diamine

Systemtic Name: 4-[3-[4-(dimethylamino)butoxy]phenyl]sulfanylbenzene-1,2-diamine Openeye Name: 4-[3-[4-(dimethylamino)butoxy]phenyl]sulfanylbenzene-1,2-diamine CAS Name: 4-[[3-[4-(dimethylamino)butoxy]phenyl]thio]benzene-1,2-diamine IUPAC Name: 4-[3-[4-(dimethylamino)butoxy]phenyl]sulfanylbenzene-1,2-diamine Traditional Name: 4-[3-[(3,4-diaminophenyl)thio]phenoxy]butyl-dimethyl-amine Formula: C18H25N3OS MolecularWeight: 331.4756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCOC1=CC(=CC=C1)SC2=CC(=C(C=C2)N)N

Isomeric SMILES

CN(C)CCCCOC1=CC(=CC=C1)SC2=CC(=C(C=C2)N)N

InChI

InChI=1S/C18H25N3OS/c1-21(2)10-3-4-11-22-14-6-5-7-15(12-14)23-16-8-9-17(19)18(20)13-16/h5-9,12-13H,3-4,10-11,19-20H2,1-2H3