4,5-bis(chloranyl)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)-1,2-thiazole-3-carboxamide

Systemtic Name: 4,5-bis(chloranyl)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)-1,2-thiazole-3-carboxamide Openeye Name: N-benzyl-N-[2-(benzylamino)-2-oxo-ethyl]-4,5-dichloro-isothiazole-3-carboxamide CAS Name: 4,5-dichloro-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)-3-isothiazolecarboxamide IUPAC Name: N-benzyl-N-[2-(benzylamino)-2-oxoethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide Traditional Name: N-benzyl-N-[2-(benzylamino)-2-keto-ethyl]-4,5-dichloro-isothiazole-3-carboxamide Formula: C20H17Cl2N3O2S MolecularWeight: 434.33888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN(CC2=CC=CC=C2)C(=O)C3=NSC(=C3Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN(CC2=CC=CC=C2)C(=O)C3=NSC(=C3Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O2S/c21-17-18(24-28-19(17)22)20(27)25(12-15-9-5-2-6-10-15)13-16(26)23-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,23,26)