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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-chlorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-chlorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C25H17ClN4O4S MolecularWeight: 504.94488

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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=C(C=C5)Cl)NC6=CC=CC=C64

Isomeric SMILES

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

InChI

InChI=1S/C25H17ClN4O4S/c26-14-5-8-16(9-6-14)30-24(32)23-22(17-3-1-2-4-18(17)28-23)29-25(30)35-12-21(31)27-15-7-10-19-20(11-15)34-13-33-19/h1-11,28H,12-13H2,(H,27,31)