4,4,4-tris(fluoranyl)-3-methyl-N-[1-[[1-methyl-2-oxidanylidene-5-(1,3-thiazol-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-(1,3-thiazol-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-thiazol-2-yl-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-(2-thiazolyl)-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-(1,3-thiazol-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-thiazol-2-yl-3H-1,4-benzodiazepin-3-yl)amino]-1-methyl-ethyl]-3-methyl-butyramide Formula: C21H22F3N5O3S MolecularWeight: 481.49129

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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=NC=CS3)C)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N5O3S/c1-11(21(22,23)24)10-15(30)26-12(2)18(31)28-17-20(32)29(3)14-7-5-4-6-13(14)16(27-17)19-25-8-9-33-19/h4-9,11-12,17H,10H2,1-3H3,(H,26,30)(H,28,31)