tert-butyl N-[8-[4-(2-carbamothioylphenyl)phenyl]octyl]carbamate

Systemtic Name: tert-butyl N-[8-[4-(2-carbamothioylphenyl)phenyl]octyl]carbamate Openeye Name: tert-butyl N-[8-[4-(2-carbamothioylphenyl)phenyl]octyl]carbamate CAS Name: N-[8-[4-(2-carbamothioylphenyl)phenyl]octyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[8-[4-(2-carbamothioylphenyl)phenyl]octyl]carbamate Traditional Name: N-[8-[4-(2-thiocarbamoylphenyl)phenyl]octyl]carbamic acid tert-butyl ester Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C26H36N2O2S/c1-26(2,3)30-25(29)28-19-11-7-5-4-6-8-12-20-15-17-21(18-16-20)22-13-9-10-14-23(22)24(27)31/h9-10,13-18H,4-8,11-12,19H2,1-3H3,(H2,27,31)(H,28,29)