(3S)-4-methyl-2-methylsulfanyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-5-one

Systemtic Name: (3S)-4-methyl-2-methylsulfanyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-5-one Openeye Name: (3S)-3-benzyl-4-methyl-2-methylsulfanyl-3H-1,4-benzodiazepin-5-one CAS Name: (3S)-4-methyl-2-(methylthio)-3-(phenylmethyl)-3H-1,4-benzodiazepin-5-one IUPAC Name: (3S)-3-benzyl-4-methyl-2-methylsulfanyl-3H-1,4-benzodiazepin-5-one Traditional Name: (3S)-3-benzyl-4-methyl-2-(methylthio)-3H-1,4-benzodiazepin-5-one Formula: C18H18N2OS MolecularWeight: 310.41332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=NC2=CC=CC=C2C1=O)SC)CC3=CC=CC=C3

Isomeric SMILES

CN1[C@H](C(=NC2=CC=CC=C2C1=O)SC)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2OS/c1-20-16(12-13-8-4-3-5-9-13)17(22-2)19-15-11-7-6-10-14(15)18(20)21/h3-11,16H,12H2,1-2H3/t16-/m0/s1