N-[2-[(3-chlorophenyl)amino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]propanamide

Systemtic Name: N-[2-[(3-chlorophenyl)amino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]propanamide Openeye Name: N-[3-allyl-2-(3-chloroanilino)-4-phenyl-thiazol-3-ium-5-yl]propanamide CAS Name: N-[2-(3-chloroanilino)-4-phenyl-3-prop-2-enyl-5-thiazol-3-iumyl]propanamide IUPAC Name: N-[2-(3-chloroanilino)-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]propanamide Traditional Name: N-[3-allyl-2-(3-chloroanilino)-4-phenyl-thiazol-3-ium-5-yl]propionamide Formula: C21H21ClN3OS+ MolecularWeight: 398.92894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C([N+](=C(S1)NC2=CC(=CC=C2)Cl)CC=C)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=C([N+](=C(S1)NC2=CC(=CC=C2)Cl)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3OS/c1-3-13-25-19(15-9-6-5-7-10-15)20(24-18(26)4-2)27-21(25)23-17-12-8-11-16(22)14-17/h3,5-12,14H,1,4,13H2,2H3,(H,24,26)/p+1