tert-butyl 2-[[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]phenyl]methyl]-4-ethoxy-butanoate

Systemtic Name: tert-butyl 2-[[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]phenyl]methyl]-4-ethoxy-butanoate Openeye Name: tert-butyl 2-[[4-[(4-carbamothioylbenzoyl)carbamoylamino]phenyl]methyl]-4-ethoxy-butanoate CAS Name: 2-[[4-[[[[(4-carbamothioylphenyl)-oxomethyl]amino]-oxomethyl]amino]phenyl]methyl]-4-ethoxybutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(4-carbamothioylbenzoyl)carbamoylamino]phenyl]methyl]-4-ethoxybutanoate Traditional Name: 4-ethoxy-2-[4-[(4-thiocarbamoylbenzoyl)carbamoylamino]benzyl]butyric acid tert-butyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=S)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCOCCC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=S)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N3O5S/c1-5-33-15-14-20(24(31)34-26(2,3)4)16-17-6-12-21(13-7-17)28-25(32)29-23(30)19-10-8-18(9-11-19)22(27)35/h6-13,20H,5,14-16H2,1-4H3,(H2,27,35)(H2,28,29,30,32)