N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-phenylsulfanyl-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-phenylsulfanyl-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-phenylsulfanyl-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-(phenylthio)aniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-phenylsulfanylaniline Traditional Name: [5-methoxy-2-(phenylthio)phenyl]-piperonyl-amine Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)SC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO3S/c1-23-16-8-10-21(26-17-5-3-2-4-6-17)18(12-16)22-13-15-7-9-19-20(11-15)25-14-24-19/h2-12,22H,13-14H2,1H3