N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-methoxy-3-(phenylthio)-N-piperonyl-1H-indole-2-carboxamide Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5

InChI

InChI=1S/C24H20N2O4S/c1-28-16-8-9-18-19(12-16)26-22(23(18)31-17-5-3-2-4-6-17)24(27)25-13-15-7-10-20-21(11-15)30-14-29-20/h2-12,26H,13-14H2,1H3,(H,25,27)