tert-butyl N-(1-azanyl-4-cyclohexyl-1-sulfanylidene-butan-2-yl)-N-[(4-phenoxyphenyl)methyl]carbamate

Systemtic Name: tert-butyl N-(1-azanyl-4-cyclohexyl-1-sulfanylidene-butan-2-yl)-N-[(4-phenoxyphenyl)methyl]carbamate Openeye Name: tert-butyl N-(1-carbamothioyl-3-cyclohexyl-propyl)-N-[(4-phenoxyphenyl)methyl]carbamate CAS Name: N-(1-amino-4-cyclohexyl-1-sulfanylidenebutan-2-yl)-N-[(4-phenoxyphenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-amino-4-cyclohexyl-1-sulfanylidenebutan-2-yl)-N-[(4-phenoxyphenyl)methyl]carbamate Traditional Name: N-(3-cyclohexyl-1-thiocarbamoyl-propyl)-N-(4-phenoxybenzyl)carbamic acid tert-butyl ester Formula: C28H38N2O3S MolecularWeight: 482.67792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(CCC3CCCCC3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(CCC3CCCCC3)C(=S)N

InChI

InChI=1S/C28H38N2O3S/c1-28(2,3)33-27(31)30(25(26(29)34)19-16-21-10-6-4-7-11-21)20-22-14-17-24(18-15-22)32-23-12-8-5-9-13-23/h5,8-9,12-15,17-18,21,25H,4,6-7,10-11,16,19-20H2,1-3H3,(H2,29,34)