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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-heptoxybenzoyl)thiocarbamoylamino]benzamide Formula: C28H29ClFN3O3S MolecularWeight: 542.064563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C28H29ClFN3O3S/c1-2-3-4-5-6-16-36-23-13-10-19(11-14-23)26(34)33-28(37)32-21-9-7-8-20(17-21)27(35)31-22-12-15-25(30)24(29)18-22/h7-15,17-18H,2-6,16H2,1H3,(H,31,35)(H2,32,33,34,37)