4-(1,3-dithiolan-2-yl)-N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[2-(3-ethynylanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[2-(3-ethynylanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC(=C1)C#C)C(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC(=C1)C#C)C(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H20N2O2S2/c1-3-15-5-4-6-18(13-15)22-19(24)14-23(2)20(25)16-7-9-17(10-8-16)21-26-11-12-27-21/h1,4-10,13,21H,11-12,14H2,2H3,(H,22,24)