4,4,4-tris(fluoranyl)-3-methyl-N-[1-[(1-methyl-2-oxidanylidene-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: 4,4,4-tris(fluoranyl)-3-methyl-N-[1-[(1-methyl-2-oxidanylidene-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: 4,4,4-trifluoro-3-methyl-N-[1-methyl-2-[[1-methyl-2-oxo-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]amino]-2-oxo-ethyl]butanamide CAS Name: 4,4,4-trifluoro-3-methyl-N-[1-[(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]butanamide IUPAC Name: 4,4,4-trifluoro-3-methyl-N-[1-[(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]butanamide Traditional Name: 4,4,4-trifluoro-N-[2-keto-2-[[2-keto-1-methyl-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]amino]-1-methyl-ethyl]-3-methyl-butyramide Formula: C22H23F3N4O3S MolecularWeight: 480.50323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23F3N4O3S/c1-12(22(23,24)25)11-17(30)26-13(2)20(31)28-19-21(32)29(3)15-8-5-4-7-14(15)18(27-19)16-9-6-10-33-16/h4-10,12-13,19H,11H2,1-3H3,(H,26,30)(H,28,31)