2,4-bis(chloranyl)-N-[1-[(3-ethynylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[1-[(3-ethynylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2,4-dichloro-N-[1-[(3-ethynylphenyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2,4-dichloro-N-[1-(3-ethynylanilino)-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2,4-dichloro-N-[1-(3-ethynylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2,4-dichloro-N-[1-[(3-ethynylphenyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H18Cl2N2O2S MolecularWeight: 421.34012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O2S/c1-3-13-5-4-6-15(11-13)23-20(26)18(9-10-27-2)24-19(25)16-8-7-14(21)12-17(16)22/h1,4-8,11-12,18H,9-10H2,2H3,(H,23,26)(H,24,25)