3-(2,1,3-benzothiadiazol-5-yl)-1-(3,4-dimethylphenyl)-1-methyl-urea

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-(3,4-dimethylphenyl)-1-methyl-urea Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-(3,4-dimethylphenyl)-1-methyl-urea CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-(3,4-dimethylphenyl)-1-methylurea IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-(3,4-dimethylphenyl)-1-methylurea Traditional Name: 1-(3,4-dimethylphenyl)-1-methyl-3-piazthiol-5-yl-urea Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C)C(=O)NC2=CC3=NSN=C3C=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C)C(=O)NC2=CC3=NSN=C3C=C2)C

InChI

InChI=1S/C16H16N4OS/c1-10-4-6-13(8-11(10)2)20(3)16(21)17-12-5-7-14-15(9-12)19-22-18-14/h4-9H,1-3H3,(H,17,21)