2-[(4-azanyl-3-methyl-phenyl)amino]-3-(phenylmethylsulfanyl)propan-1-ol

Systemtic Name: 2-[(4-azanyl-3-methyl-phenyl)amino]-3-(phenylmethylsulfanyl)propan-1-ol Openeye Name: 2-(4-amino-3-methyl-anilino)-3-benzylsulfanyl-propan-1-ol CAS Name: 2-(4-amino-3-methylanilino)-3-(phenylmethylthio)-1-propanol IUPAC Name: 2-(4-amino-3-methylanilino)-3-benzylsulfanylpropan-1-ol Traditional Name: 2-(4-amino-3-methyl-anilino)-3-(benzylthio)propan-1-ol Formula: C17H22N2OS MolecularWeight: 302.43438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(CO)CSCC2=CC=CC=C2)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(CO)CSCC2=CC=CC=C2)N

InChI

InChI=1S/C17H22N2OS/c1-13-9-15(7-8-17(13)18)19-16(10-20)12-21-11-14-5-3-2-4-6-14/h2-9,16,19-20H,10-12,18H2,1H3