2-chloranyl-N-cyclohexyl-5-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(4-heptoxybenzoyl)thiocarbamoylamino]benzamide Formula: C28H36ClN3O3S MolecularWeight: 530.12174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C28H36ClN3O3S/c1-2-3-4-5-9-18-35-23-15-12-20(13-16-23)26(33)32-28(36)31-22-14-17-25(29)24(19-22)27(34)30-21-10-7-6-8-11-21/h12-17,19,21H,2-11,18H2,1H3,(H,30,34)(H2,31,32,33,36)