N-(1,3-benzodioxol-5-yl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C19H14N4O3S/c24-16(22-11-5-6-14-15(7-11)26-10-25-14)8-27-19-18-17(20-9-21-19)12-3-1-2-4-13(12)23-18/h1-7,9,23H,8,10H2,(H,22,24)