(2S)-2-azanyl-N-(5-ethylsulfanyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: (2S)-2-azanyl-N-(5-ethylsulfanyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: (2S)-2-amino-N-(5-ethylsulfanyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: (2S)-2-amino-N-[5-(ethylthio)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-(5-ethylsulfanyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: (2S)-2-amino-N-[5-(ethylthio)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)C(C)N

Isomeric SMILES

CCSC1=NC(C(=O)N(C2=CC=CC=C21)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C15H20N4O2S/c1-4-22-14-10-7-5-6-8-11(10)19(3)15(21)12(18-14)17-13(20)9(2)16/h5-9,12H,4,16H2,1-3H3,(H,17,20)/t9-,12?/m0/s1