7-[(phenylmethyl)amino]-4,5-dihydro-3H-1,3,6-thiadiazepine-2-thione

Systemtic Name: 7-[(phenylmethyl)amino]-4,5-dihydro-3H-1,3,6-thiadiazepine-2-thione Openeye Name: 7-(benzylamino)-4,5-dihydro-3H-1,3,6-thiadiazepine-2-thione CAS Name: 7-[(phenylmethyl)amino]-4,5-dihydro-3H-1,3,6-thiadiazepine-2-thione IUPAC Name: 7-(benzylamino)-4,5-dihydro-3H-1,3,6-thiadiazepine-2-thione Traditional Name: 7-(benzylamino)-4,5-dihydro-3H-1,3,6-thiadiazepine-2-thione Formula: C11H13N3S2 MolecularWeight: 251.37102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(SC(=S)N1)NCC2=CC=CC=C2

Isomeric SMILES

C1CN=C(SC(=S)N1)NCC2=CC=CC=C2

InChI

InChI=1S/C11H13N3S2/c15-11-13-7-6-12-10(16-11)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14)(H,13,15)