2-[3-[(4-isocyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxidanylidene-ethanamide

Systemtic Name: 2-[3-[(4-isocyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxidanylidene-ethanamide Openeye Name: 2-[3-[(4-isocyanophenyl)methyl]indolizin-1-yl]-N-(3-methylisothiazol-5-yl)-2-oxo-acetamide CAS Name: 2-[3-[(4-isocyanophenyl)methyl]-1-indolizinyl]-N-(3-methyl-5-isothiazolyl)-2-oxoacetamide IUPAC Name: 2-[3-[(4-isocyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide Traditional Name: 2-[3-(4-isocyanobenzyl)indolizin-1-yl]-2-keto-N-(3-methylisothiazol-5-yl)acetamide Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)[N+]#[C-]

Isomeric SMILES

CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)[N+]#[C-]

InChI

InChI=1S/C22H16N4O2S/c1-14-11-20(29-25-14)24-22(28)21(27)18-13-17(26-10-4-3-5-19(18)26)12-15-6-8-16(23-2)9-7-15/h3-11,13H,12H2,1H3,(H,24,28)