tert-butyl N-[2-[[1-(tert-butylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-(phenylcarbonyl)amino]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-[[1-(tert-butylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-(phenylcarbonyl)amino]phenyl]carbamate Openeye Name: tert-butyl N-[2-[benzoyl-[1-(tert-butylcarbamoyl)-3-methylsulfanyl-propyl]amino]phenyl]carbamate CAS Name: N-[2-[benzoyl-[1-(tert-butylamino)-4-(methylthio)-1-oxobutan-2-yl]amino]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[benzoyl-[1-(tert-butylamino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]phenyl]carbamate Traditional Name: N-[2-[benzoyl-[1-(tert-butylcarbamoyl)-3-(methylthio)propyl]amino]phenyl]carbamic acid tert-butyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(CCSC)N(C1=CC=CC=C1NC(=O)OC(C)(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C(CCSC)N(C1=CC=CC=C1NC(=O)OC(C)(C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H37N3O4S/c1-26(2,3)29-23(31)22(17-18-35-7)30(24(32)19-13-9-8-10-14-19)21-16-12-11-15-20(21)28-25(33)34-27(4,5)6/h8-16,22H,17-18H2,1-7H3,(H,28,33)(H,29,31)