methylbenzene; 2-(4-oxidanylidene-3-phenethyl-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide

Systemtic Name: methylbenzene; 2-(4-oxidanylidene-3-phenethyl-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide Openeye Name: 2-(2-anilino-4-oxo-3-phenethyl-thiazol-3-ium-5-yl)acetamide; toluene CAS Name: 2-(2-anilino-4-oxo-3-phenethyl-5-thiazol-3-iumyl)acetamide; toluene IUPAC Name: 2-(2-anilino-4-oxo-3-phenethyl-1,3-thiazol-3-ium-5-yl)acetamide; toluene Traditional Name: 2-(2-anilino-4-keto-3-phenethyl-2-thiazolin-3-ium-5-yl)acetamide; toluene Formula: C26H28N3O2S+ MolecularWeight: 446.58442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)CC[N+]2=C(SC(C2=O)CC(=O)N)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)CC[N+]2=C(SC(C2=O)CC(=O)N)NC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S.C7H8/c20-17(23)13-16-18(24)22(12-11-14-7-3-1-4-8-14)19(25-16)21-15-9-5-2-6-10-15;1-7-5-3-2-4-6-7/h1-10,16H,11-13H2,(H2,20,23);2-6H,1H3/p+1