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

Systemtic Name: (2S)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-thiophen-2-ylethanoylamino)propanamide Openeye Name: (2S)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[[2-(2-thienyl)acetyl]amino]propanamide CAS Name: (2S)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[(1-oxo-2-thiophen-2-ylethyl)amino]propanamide IUPAC Name: (2S)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[(2-thiophen-2-ylacetyl)amino]propanamide Traditional Name: (2S)-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-[[2-(2-thienyl)acetyl]amino]propionamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C25H24N4O3S/c1-16(26-21(30)15-18-11-8-14-33-18)24(31)28-23-25(32)29(2)20-13-7-6-12-19(20)22(27-23)17-9-4-3-5-10-17/h3-14,16,23H,15H2,1-2H3,(H,26,30)(H,28,31)/t16-,23?/m0/s1