tert-butyl N-[3-aminocarbonyl-2-[7-(phenylmethylsulfanyl)heptyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-aminocarbonyl-2-[7-(phenylmethylsulfanyl)heptyl]phenyl]carbamate Openeye Name: tert-butyl N-[2-(7-benzylsulfanylheptyl)-3-carbamoyl-phenyl]carbamate CAS Name: N-[3-carbamoyl-2-[7-(phenylmethylthio)heptyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(7-benzylsulfanylheptyl)-3-carbamoylphenyl]carbamate Traditional Name: N-[2-[7-(benzylthio)heptyl]-3-carbamoyl-phenyl]carbamic acid tert-butyl ester Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1CCCCCCCSCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1CCCCCCCSCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C26H36N2O3S/c1-26(2,3)31-25(30)28-23-17-12-16-22(24(27)29)21(23)15-10-5-4-6-11-18-32-19-20-13-8-7-9-14-20/h7-9,12-14,16-17H,4-6,10-11,15,18-19H2,1-3H3,(H2,27,29)(H,28,30)