2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylsulfanylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylsulfanylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylsulfanylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(methylthio)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylsulfanylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[3-(methylthio)phenyl]-N-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H21N5O3S MolecularWeight: 483.54164

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N

Isomeric SMILES

CSC1=CC=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N

InChI

InChI=1S/C26H21N5O3S/c1-35-17-6-4-5-16(12-17)31-24(27)22(23-25(31)30-19-8-3-2-7-18(19)29-23)26(32)28-13-15-9-10-20-21(11-15)34-14-33-20/h2-12H,13-14,27H2,1H3,(H,28,32)