N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-2-[(4-methylphenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NCC(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NCC(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C22H19N3O3S/c1-3-16-5-4-6-17(11-16)24-20(26)12-23-22(27)19-14-29-21(25-19)13-28-18-9-7-15(2)8-10-18/h1,4-11,14H,12-13H2,2H3,(H,23,27)(H,24,26)