N-[4-[(2-butoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[(2-butoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(2-butoxybenzoyl)carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[(2-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[(2-butoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[(2-butoxybenzoyl)thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H27N3O3S/c1-3-4-17-32-23-12-8-7-11-22(23)25(31)29-26(33)28-20-15-13-19(14-16-20)27-24(30)21-10-6-5-9-18(21)2/h5-16H,3-4,17H2,1-2H3,(H,27,30)(H2,28,29,31,33)