N-[5-methyl-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide

Systemtic Name: N-[5-methyl-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide Openeye Name: N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)thiazol-2-yl]-3-(p-tolyl)propanamide CAS Name: N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-thiazolyl]-3-(4-methylphenyl)propanamide IUPAC Name: N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide Traditional Name: N-[4-(3-keto-4H-1,4-benzoxazin-6-yl)-5-methyl-thiazol-2-yl]-3-(p-tolyl)propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=NC(=C(S2)C)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=NC(=C(S2)C)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H21N3O3S/c1-13-3-5-15(6-4-13)7-10-19(26)24-22-25-21(14(2)29-22)16-8-9-18-17(11-16)23-20(27)12-28-18/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,23,27)(H,24,25,26)