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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C25H18N4O4S MolecularWeight: 470.49982

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC6=CC=CC=C64

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC6=CC=CC=C64

InChI

InChI=1S/C25H18N4O4S/c30-21(26-15-10-11-19-20(12-15)33-14-32-19)13-34-25-28-22-17-8-4-5-9-18(17)27-23(22)24(31)29(25)16-6-2-1-3-7-16/h1-12,27H,13-14H2,(H,26,30)