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

Systemtic Name: N-[(E)-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanyl-propanamide Openeye Name: N-[(E)-[4-[2-(isopropylamino)-2-oxo-ethoxy]phenyl]methyleneamino]-3-phenylsulfanyl-propanamide CAS Name: N-[(E)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-3-(phenylthio)propanamide IUPAC Name: N-[(E)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanylpropanamide Traditional Name: N-[(E)-[4-[2-(isopropylamino)-2-keto-ethoxy]benzylidene]amino]-3-(phenylthio)propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=CC=C(C=C1)C=NNC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)COC1=CC=C(C=C1)/C=N/NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-16(2)23-21(26)15-27-18-10-8-17(9-11-18)14-22-24-20(25)12-13-28-19-6-4-3-5-7-19/h3-11,14,16H,12-13,15H2,1-2H3,(H,23,26)(H,24,25)/b22-14+