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

Systemtic Name: 3-chloranyl-N-[4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 3-chloro-N-[4-[(4-hexoxybenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 3-chloro-N-[4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[(4-hexoxybenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: 3-chloro-N-[4-[(4-hexoxybenzoyl)thiocarbamoylamino]phenyl]benzamide Formula: C27H28ClN3O3S MolecularWeight: 510.04752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C27H28ClN3O3S/c1-2-3-4-5-17-34-24-15-9-19(10-16-24)25(32)31-27(35)30-23-13-11-22(12-14-23)29-26(33)20-7-6-8-21(28)18-20/h6-16,18H,2-5,17H2,1H3,(H,29,33)(H2,30,31,32,35)