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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C22H17N5O2S2 MolecularWeight: 447.53268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O2S2/c1-2-11-27-20(29)19-18(13-7-3-4-8-14(13)23-19)26-22(27)30-12-17(28)25-21-24-15-9-5-6-10-16(15)31-21/h2-10,23H,1,11-12H2,(H,24,25,28)