N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NC1=CC=CC(=C1)C#C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCC(=O)NC1=CC=CC(=C1)C#C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H25N3O4S/c1-3-17-8-7-9-18(14-17)25-21(27)15-24-23(29)20(12-13-31-2)26-22(28)16-30-19-10-5-4-6-11-19/h1,4-11,14,20H,12-13,15-16H2,2H3,(H,24,29)(H,25,27)(H,26,28)