N-(2,6-dimethylphenyl)-2-(1-phenylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(1-phenylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(1-phenylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[[oxo-(1-phenylethylamino)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(1-phenylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(1-phenylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-15-8-7-9-16(2)22(15)28-23(30)19-12-13-20-21(14-19)32-25(27-20)29-24(31)26-17(3)18-10-5-4-6-11-18/h4-14,17H,1-3H3,(H,28,30)(H2,26,27,29,31)