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

Systemtic Name: (4S)-4-methyl-5-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C22H22N4O2S/c1-3-12-25-18-10-6-4-8-16(18)24-22(25)29-14-21(28)26-15(2)13-20(27)23-17-9-5-7-11-19(17)26/h3-11,15H,1,12-14H2,2H3,(H,23,27)/t15-/m0/s1