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: 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: 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: 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: 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: 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: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3S/c1-12(2)11-16(27)23-13(3)19(28)25-18-21(29)26(4)15-8-6-5-7-14(15)17(24-18)20-22-9-10-30-20/h5-10,12-13,18H,11H2,1-4H3,(H,23,27)(H,25,28)