N-[2-[(4-chlorophenyl)amino]-3-(phenylmethyl)-4,5-dihydro-1,3-thiazol-3-ium-4-yl]benzamide chloride

Systemtic Name: N-[2-[(4-chlorophenyl)amino]-3-(phenylmethyl)-4,5-dihydro-1,3-thiazol-3-ium-4-yl]benzamide chloride Openeye Name: N-[3-benzyl-2-(4-chloroanilino)-4,5-dihydrothiazol-3-ium-4-yl]benzamide chloride CAS Name: N-[2-(4-chloroanilino)-3-(phenylmethyl)-4,5-dihydrothiazol-3-ium-4-yl]benzamide chloride IUPAC Name: N-[3-benzyl-2-(4-chloroanilino)-4,5-dihydro-1,3-thiazol-3-ium-4-yl]benzamide chloride Traditional Name: N-[3-benzyl-2-(4-chloroanilino)-2-thiazolin-3-ium-4-yl]benzamide chloride Formula: C23H21Cl2N3OS MolecularWeight: 458.40334

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Descriptors Computed from Structure

Canonical SMILES:

C1C([N+](=C(S1)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C([N+](=C(S1)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H20ClN3OS.ClH/c24-19-11-13-20(14-12-19)25-23-27(15-17-7-3-1-4-8-17)21(16-29-23)26-22(28)18-9-5-2-6-10-18;/h1-14,21H,15-16H2,(H,26,28);1H