N-[4-[(4-butoxyphenyl)carbonylcarbamothioylamino]phenyl]-3-chloranyl-benzamide

Systemtic Name: N-[4-[(4-butoxyphenyl)carbonylcarbamothioylamino]phenyl]-3-chloranyl-benzamide Openeye Name: N-[4-[(4-butoxybenzoyl)carbamothioylamino]phenyl]-3-chloro-benzamide CAS Name: N-[4-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-chlorobenzamide IUPAC Name: N-[4-[(4-butoxybenzoyl)carbamothioylamino]phenyl]-3-chlorobenzamide Traditional Name: N-[4-[(4-butoxybenzoyl)thiocarbamoylamino]phenyl]-3-chloro-benzamide Formula: C25H24ClN3O3S MolecularWeight: 481.99436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H24ClN3O3S/c1-2-3-15-32-22-13-7-17(8-14-22)23(30)29-25(33)28-21-11-9-20(10-12-21)27-24(31)18-5-4-6-19(26)16-18/h4-14,16H,2-3,15H2,1H3,(H,27,31)(H2,28,29,30,33)