O-(5-aminocarbonyl-1H-imidazol-4-yl) 5-methyl-2-phenylmethoxy-benzenecarbothioate

Systemtic Name: O-(5-aminocarbonyl-1H-imidazol-4-yl) 5-methyl-2-phenylmethoxy-benzenecarbothioate Openeye Name: O-(5-carbamoyl-1H-imidazol-4-yl) 2-benzyloxy-5-methyl-benzenecarbothioate CAS Name: 5-methyl-2-phenylmethoxybenzenecarbothioic acid O-(5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: O-(5-carbamoyl-1H-imidazol-4-yl) 5-methyl-2-phenylmethoxybenzenecarbothioate Traditional Name: 2-benzoxy-5-methyl-thiobenzoic acid O-(5-carbamoyl-1H-imidazol-4-yl) ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=S)OC3=C(NC=N3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=S)OC3=C(NC=N3)C(=O)N

InChI

InChI=1S/C19H17N3O3S/c1-12-7-8-15(24-10-13-5-3-2-4-6-13)14(9-12)19(26)25-18-16(17(20)23)21-11-22-18/h2-9,11H,10H2,1H3,(H2,20,23)(H,21,22)