(4S)-4-methyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H17N3O3S/c1-12-10-15(21)18-13-6-2-3-7-14(13)20(12)16(22)11-24-17-8-4-5-9-19(17)23/h2-9,12H,10-11H2,1H3,(H,18,21)/t12-/m0/s1