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

Systemtic Name: (2S)-2-azanyl-N-(1-methyl-2-oxidanylidene-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: (2S)-2-amino-N-[1-methyl-2-oxo-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-amino-N-(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: (2S)-2-amino-N-(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: (2S)-2-amino-N-[2-keto-1-methyl-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-10(18)16(22)20-15-17(23)21(2)12-7-4-3-6-11(12)14(19-15)13-8-5-9-24-13/h3-10,15H,18H2,1-2H3,(H,20,22)/t10-,15?/m0/s1