1-[1-(2,2-dimethylpropanoyl)-7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-3-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea

Systemtic Name: 1-[1-(2,2-dimethylpropanoyl)-7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-3-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [1-(2,2-dimethylpropanoyl)-7-methyl-4-oxo-5-[2-oxo-2-(3-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [1-(2,2-dimethyl-1-oxopropyl)-7-methyl-4-oxo-5-[2-oxo-2-(3-thiophenyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [1-(2,2-dimethylpropanoyl)-7-methyl-4-oxo-5-(2-oxo-2-thiophen-3-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: [4-keto-5-[2-keto-2-(3-thienyl)ethyl]-7-methyl-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CSC=C3)NC(=O)N)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CSC=C3)NC(=O)N)C(=O)C(C)(C)C

InChI

InChI=1S/C22H26N4O4S/c1-13-5-6-16-17(9-13)25(11-18(27)14-7-8-31-12-14)19(28)15(24-21(23)30)10-26(16)20(29)22(2,3)4/h5-9,12,15H,10-11H2,1-4H3,(H3,23,24,30)