N-(2-methyl-4-nitro-phenyl)-3-(2-methylpropyl)-4,5-dihydro-1,3-thiazepin-2-imine

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-(2-methylpropyl)-4,5-dihydro-1,3-thiazepin-2-imine Openeye Name: 3-isobutyl-N-(2-methyl-4-nitro-phenyl)-4,5-dihydro-1,3-thiazepin-2-imine CAS Name: N-(2-methyl-4-nitrophenyl)-3-(2-methylpropyl)-4,5-dihydro-1,3-thiazepin-2-imine IUPAC Name: N-(2-methyl-4-nitrophenyl)-3-(2-methylpropyl)-4,5-dihydro-1,3-thiazepin-2-imine Traditional Name: (3-isobutyl-4,5-dihydro-1,3-thiazepin-2-ylidene)-(2-methyl-4-nitro-phenyl)amine Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(CCC=CS2)CC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(CCC=CS2)CC(C)C

InChI

InChI=1S/C16H21N3O2S/c1-12(2)11-18-8-4-5-9-22-16(18)17-15-7-6-14(19(20)21)10-13(15)3/h5-7,9-10,12H,4,8,11H2,1-3H3