6-[3-(but-1-en-2-ylamino)-2-[(4-methylphenyl)amino]-1,3-thiazol-3-ium-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(but-1-en-2-ylamino)-2-[(4-methylphenyl)amino]-1,3-thiazol-3-ium-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-methylanilino)-3-(1-methylenepropylamino)thiazol-3-ium-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(but-1-en-2-ylamino)-2-(4-methylanilino)-4-thiazol-3-iumyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(but-1-en-2-ylamino)-2-(4-methylanilino)-1,3-thiazol-3-ium-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(1-ethylvinylamino)-2-(p-toluidino)thiazol-3-ium-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)N[N+]1=C(SC=C1C2=CC3=C(C=C2)OCC(=O)N3)NC4=CC=C(C=C4)C

Isomeric SMILES

CCC(=C)N[N+]1=C(SC=C1C2=CC3=C(C=C2)OCC(=O)N3)NC4=CC=C(C=C4)C

InChI

InChI=1S/C22H22N4O2S/c1-4-15(3)25-26-19(13-29-22(26)23-17-8-5-14(2)6-9-17)16-7-10-20-18(11-16)24-21(27)12-28-20/h5-11,13,25H,3-4,12H2,1-2H3,(H,24,27)/p+1