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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[3-(4-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[4-oxo-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[4-keto-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C26H19N5O2S2 MolecularWeight: 497.59136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H19N5O2S2/c1-15-10-12-16(13-11-15)31-24(33)23-22(17-6-2-3-7-18(17)27-23)30-26(31)34-14-21(32)29-25-28-19-8-4-5-9-20(19)35-25/h2-13,27H,14H2,1H3,(H,28,29,32)