N-(2-diethylaminoethyl)-4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[(4-hexoxybenzoyl)thiocarbamoylamino]benzamide Formula: C27H38N4O3S MolecularWeight: 498.68062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC

InChI

InChI=1S/C27H38N4O3S/c1-4-7-8-9-20-34-24-16-12-22(13-17-24)26(33)30-27(35)29-23-14-10-21(11-15-23)25(32)28-18-19-31(5-2)6-3/h10-17H,4-9,18-20H2,1-3H3,(H,28,32)(H2,29,30,33,35)