N-[(E)-[4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[(E)-[4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanyl-propanamide Openeye Name: N-[(E)-[4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyleneamino]-3-phenylsulfanyl-propanamide CAS Name: N-[(E)-[4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methylideneamino]-3-(phenylthio)propanamide IUPAC Name: N-[(E)-[4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanylpropanamide Traditional Name: N-[(E)-[4-[2-keto-2-(phenethylamino)ethoxy]benzylidene]amino]-3-(phenylthio)propionamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)C=NNC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)COC2=CC=C(C=C2)/C=N/NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c30-25(16-18-33-24-9-5-2-6-10-24)29-28-19-22-11-13-23(14-12-22)32-20-26(31)27-17-15-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2,(H,27,31)(H,29,30)/b28-19+