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

Systemtic Name: (4S)-4-methyl-5-(2-quinolin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-(2-quinolylsulfanyl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-(2-quinolinylthio)ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-(2-quinolin-2-ylsulfanylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-(2-quinolylthio)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N3O2S/c1-14-12-19(25)22-17-8-4-5-9-18(17)24(14)21(26)13-27-20-11-10-15-6-2-3-7-16(15)23-20/h2-11,14H,12-13H2,1H3,(H,22,25)/t14-/m0/s1