N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine

Systemtic Name: N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine Openeye Name: N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine CAS Name: N-[4-[(4-methoxyphenyl)thio]phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine IUPAC Name: N-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine Traditional Name: [4-[(4-methoxyphenyl)thio]phenyl]-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)amine Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=NCCCCN3

Isomeric SMILES

COC1=CC=C(C=C1)SC2=CC=C(C=C2)NC3=NCCCCN3

InChI

InChI=1S/C18H21N3OS/c1-22-15-6-10-17(11-7-15)23-16-8-4-14(5-9-16)21-18-19-12-2-3-13-20-18/h4-11H,2-3,12-13H2,1H3,(H2,19,20,21)