(2S)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-(phenylthio)propionamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C(C)SC1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC/C(=N/NC(=O)[C@H](C)SC1=CC=CC=C1)/C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N2O3S/c1-3-17(15-9-10-18-19(13-15)25-12-11-24-18)21-22-20(23)14(2)26-16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23)/b21-17-/t14-/m0/s1