N-[3-[(4-butoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-[(4-butoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-chloranyl-benzamide Openeye Name: N-[3-[(4-butoxybenzoyl)carbamothioylamino]phenyl]-2-chloro-benzamide CAS Name: N-[3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-chlorobenzamide IUPAC Name: N-[3-[(4-butoxybenzoyl)carbamothioylamino]phenyl]-2-chlorobenzamide Traditional Name: N-[3-[(4-butoxybenzoyl)thiocarbamoylamino]phenyl]-2-chloro-benzamide Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl

InChI

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