3-[(4-chloranyl-5-oxidanyl-2-phenylsulfanyl-phenyl)amino]-N-dodecyl-propanamide

Systemtic Name: 3-[(4-chloranyl-5-oxidanyl-2-phenylsulfanyl-phenyl)amino]-N-dodecyl-propanamide Openeye Name: 3-(4-chloro-5-hydroxy-2-phenylsulfanyl-anilino)-N-dodecyl-propanamide CAS Name: 3-[4-chloro-5-hydroxy-2-(phenylthio)anilino]-N-dodecylpropanamide IUPAC Name: 3-(4-chloro-5-hydroxy-2-phenylsulfanylanilino)-N-dodecylpropanamide Traditional Name: 3-[4-chloro-5-hydroxy-2-(phenylthio)anilino]-N-lauryl-propionamide Formula: C27H39ClN2O2S MolecularWeight: 491.12876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)CCNC1=CC(=C(C=C1SC2=CC=CC=C2)Cl)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)CCNC1=CC(=C(C=C1SC2=CC=CC=C2)Cl)O

InChI

InChI=1S/C27H39ClN2O2S/c1-2-3-4-5-6-7-8-9-10-14-18-30-27(32)17-19-29-24-21-25(31)23(28)20-26(24)33-22-15-12-11-13-16-22/h11-13,15-16,20-21,29,31H,2-10,14,17-19H2,1H3,(H,30,32)