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

Systemtic Name: (2S)-2-azanyl-N-[1-methyl-2-oxidanylidene-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: (2S)-2-amino-N-(1-methyl-2-oxo-5-thiazol-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: (2S)-2-amino-N-[1-methyl-2-oxo-5-(2-thiazolyl)-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-[1-methyl-2-oxo-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: (2S)-2-amino-N-(2-keto-1-methyl-5-thiazol-2-yl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=NC=CS3)C)N

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=NC=CS3)C)N

InChI

InChI=1S/C16H17N5O2S/c1-9(17)14(22)20-13-16(23)21(2)11-6-4-3-5-10(11)12(19-13)15-18-7-8-24-15/h3-9,13H,17H2,1-2H3,(H,20,22)/t9-,13?/m0/s1