[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C17H23N3O2S2 MolecularWeight: 365.51342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1C(CC(=O)NC2=CC=CC=C21)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1[C@H](CC(=O)NC2=CC=CC=C21)C

InChI

InChI=1S/C17H23N3O2S2/c1-4-19(5-2)17(23)24-11-16(22)20-12(3)10-15(21)18-13-8-6-7-9-14(13)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)/t12-/m0/s1