S-[4-[[1-(tert-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-oxidanylidene-butyl] carbamothioate

Systemtic Name: S-[4-[[1-(tert-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-oxidanylidene-butyl] carbamothioate Openeye Name: S-[4-[[1-[(4-benzyloxyphenyl)methyl]-2-(tert-butylamino)-2-oxo-ethyl]amino]-4-oxo-butyl] carbamothioate CAS Name: carbamothioic acid S-[4-[[1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-oxobutyl] ester IUPAC Name: S-[4-[[1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-oxobutyl] carbamothioate Traditional Name: thiocarbamic acid S-[4-[[1-(4-benzoxybenzyl)-2-(tert-butylamino)-2-keto-ethyl]amino]-4-keto-butyl] ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)CCCSC(=O)N

Isomeric SMILES

CC(C)(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)CCCSC(=O)N

InChI

InChI=1S/C25H33N3O4S/c1-25(2,3)28-23(30)21(27-22(29)10-7-15-33-24(26)31)16-18-11-13-20(14-12-18)32-17-19-8-5-4-6-9-19/h4-6,8-9,11-14,21H,7,10,15-17H2,1-3H3,(H2,26,31)(H,27,29)(H,28,30)