1-(2,3-dihydroindol-1-yl)-2-(4,5-diisocyano-1,3-thiazol-2-yl)-2-(4-methylphenoxy)ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-(4,5-diisocyano-1,3-thiazol-2-yl)-2-(4-methylphenoxy)ethanone Openeye Name: 2-(4,5-diisocyanothiazol-2-yl)-1-indolin-1-yl-2-(4-methylphenoxy)ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-(4,5-diisocyano-2-thiazolyl)-2-(4-methylphenoxy)ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-(4,5-diisocyano-1,3-thiazol-2-yl)-2-(4-methylphenoxy)ethanone Traditional Name: 2-(4,5-diisocyanothiazol-2-yl)-1-indolin-1-yl-2-(4-methylphenoxy)ethanone Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C2=NC(=C(S2)[N+]#[C-])[N+]#[C-])C(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)OC(C2=NC(=C(S2)[N+]#[C-])[N+]#[C-])C(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H16N4O2S/c1-14-8-10-16(11-9-14)28-18(20-25-19(23-2)21(24-3)29-20)22(27)26-13-12-15-6-4-5-7-17(15)26/h4-11,18H,12-13H2,1H3