2-azanyl-N-methyl-N-(2-oxidanylidene-5-quinolin-8-yl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-methyl-N-(2-oxidanylidene-5-quinolin-8-yl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-sulfanyl-propanamide Openeye Name: 2-amino-N-methyl-N-[2-oxo-5-(8-quinolyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide CAS Name: 2-amino-3-mercapto-N-methyl-N-[2-oxo-5-(8-quinolinyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-amino-N-methyl-N-(2-oxo-5-quinolin-8-yl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-sulfanylpropanamide Traditional Name: 2-amino-N-[2-keto-5-(8-quinolyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC4=C3N=CC=C4)C(=O)C(CS)N

Isomeric SMILES

CN(C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC4=C3N=CC=C4)C(=O)C(CS)N

InChI

InChI=1S/C22H21N5O2S/c1-27(22(29)16(23)12-30)20-21(28)25-17-10-3-2-8-14(17)19(26-20)15-9-4-6-13-7-5-11-24-18(13)15/h2-11,16,20,30H,12,23H2,1H3,(H,25,28)