4-[3-(2-piperidin-2-ylbutan-2-yloxy)phenyl]sulfanylbenzene-1,2-diamine

Systemtic Name: 4-[3-(2-piperidin-2-ylbutan-2-yloxy)phenyl]sulfanylbenzene-1,2-diamine Openeye Name: 4-[3-[1-methyl-1-(2-piperidyl)propoxy]phenyl]sulfanylbenzene-1,2-diamine CAS Name: 4-[[3-[2-(2-piperidinyl)butan-2-yloxy]phenyl]thio]benzene-1,2-diamine IUPAC Name: 4-[3-(2-piperidin-2-ylbutan-2-yloxy)phenyl]sulfanylbenzene-1,2-diamine Traditional Name: [2-amino-4-[[3-[1-methyl-1-(2-piperidyl)propoxy]phenyl]thio]phenyl]amine Formula: C21H29N3OS MolecularWeight: 371.53946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1CCCCN1)OC2=CC(=CC=C2)SC3=CC(=C(C=C3)N)N

Isomeric SMILES

CCC(C)(C1CCCCN1)OC2=CC(=CC=C2)SC3=CC(=C(C=C3)N)N

InChI

InChI=1S/C21H29N3OS/c1-3-21(2,20-9-4-5-12-24-20)25-15-7-6-8-16(13-15)26-17-10-11-18(22)19(23)14-17/h6-8,10-11,13-14,20,24H,3-5,9,12,22-23H2,1-2H3