tert-butyl N-[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-cyclohexyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-cyclohexyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-cyclohexyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-cyclohexyl-4-keto-5-[2-keto-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2N(C1=O)CC(=O)C3=CC=CS3)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2N(C1=O)CC(=O)C3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C26H33N3O4S/c1-26(2,3)33-25(32)27-19-16-28(18-10-5-4-6-11-18)20-12-7-8-13-21(20)29(24(19)31)17-22(30)23-14-9-15-34-23/h7-9,12-15,18-19H,4-6,10-11,16-17H2,1-3H3,(H,27,32)