N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]propanamide CAS Name: N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]propanamide Traditional Name: 2-(benzylthio)-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]propionamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C(C)SCC1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC/C(=N\NC(=O)C(C)SCC1=CC=CC=C1)/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H26N2O3S/c1-5-18(17-11-12-19(25-3)20(13-17)26-4)22-23-21(24)15(2)27-14-16-9-7-6-8-10-16/h6-13,15H,5,14H2,1-4H3,(H,23,24)/b22-18+