tert-butyl N-[5-cyclohexyl-1-[(2-ethanoylthiophen-3-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-cyclohexyl-1-[(2-ethanoylthiophen-3-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[(2-acetyl-3-thienyl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[(2-acetyl-3-thiophenyl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(2-acetylthiophen-3-yl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-[(2-acetyl-3-thienyl)methyl]-5-cyclohexyl-2-keto-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CS1)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OC(C)(C)C)C4CCCCC4

Isomeric SMILES

CC(=O)C1=C(C=CS1)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OC(C)(C)C)C4CCCCC4

InChI

InChI=1S/C27H33N3O4S/c1-17(31)23-19(14-15-35-23)16-30-21-13-9-8-12-20(21)22(18-10-6-5-7-11-18)28-24(25(30)32)29-26(33)34-27(2,3)4/h8-9,12-15,18,24H,5-7,10-11,16H2,1-4H3,(H,29,33)