2-[4-[2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethyl]-1,4-diazepan-1-yl]ethanamine

Systemtic Name: 2-[4-[2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethyl]-1,4-diazepan-1-yl]ethanamine Openeye Name: 2-[4-[2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethyl]-1,4-diazepan-1-yl]ethanamine CAS Name: 2-[4-[2-[[4-(1-imidazolyl)phenyl]methylthio]ethyl]-1,4-diazepan-1-yl]ethanamine IUPAC Name: 2-[4-[2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethyl]-1,4-diazepan-1-yl]ethanamine Traditional Name: 2-[4-[2-[(4-imidazol-1-ylbenzyl)thio]ethyl]-1,4-diazepan-1-yl]ethylamine Formula: C19H29N5S MolecularWeight: 359.53206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CCSCC2=CC=C(C=C2)N3C=CN=C3)CCN

Isomeric SMILES

C1CN(CCN(C1)CCSCC2=CC=C(C=C2)N3C=CN=C3)CCN

InChI

InChI=1S/C19H29N5S/c20-6-10-22-8-1-9-23(13-12-22)14-15-25-16-18-2-4-19(5-3-18)24-11-7-21-17-24/h2-5,7,11,17H,1,6,8-10,12-16,20H2