2-benzamido-3-phenyl-propanoate; 4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 2-benzamido-3-phenyl-propanoate; 4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 2-benzamido-3-phenyl-propanoate; 4-(4-chlorophenyl)-N,3-diphenyl-thiazol-3-ium-2-amine CAS Name: 2-benzamido-3-phenylpropanoate; 4-(4-chlorophenyl)-N,3-diphenyl-2-thiazol-3-iumamine IUPAC Name: 2-benzamido-3-phenylpropanoate; 4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine Traditional Name: 2-benzamido-3-phenyl-propionate; [4-(4-chlorophenyl)-3-phenyl-thiazol-3-ium-2-yl]-phenyl-amine Formula: C37H30ClN3O3S MolecularWeight: 632.1704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2S.C16H15NO3/c22-17-13-11-16(12-14-17)20-15-25-21(23-18-7-3-1-4-8-18)24(20)19-9-5-2-6-10-19;18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-15H;1-10,14H,11H2,(H,17,18)(H,19,20)