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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H17N5O2S2/c1-2-26-19(28)18-17(12-7-3-4-8-13(12)22-18)25-21(26)29-11-16(27)24-20-23-14-9-5-6-10-15(14)30-20/h3-10,22H,2,11H2,1H3,(H,23,24,27)