(4S)-5-(2-cyclohexylsulfanylethanoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-5-(2-cyclohexylsulfanylethanoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-(2-cyclohexylsulfanylacetyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[2-(cyclohexylthio)-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-(2-cyclohexylsulfanylacetyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-(cyclohexylthio)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C18H24N2O2S MolecularWeight: 332.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3CCCCC3

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3CCCCC3

InChI

InChI=1S/C18H24N2O2S/c1-13-11-17(21)19-15-9-5-6-10-16(15)20(13)18(22)12-23-14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,19,21)/t13-/m0/s1