2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H22N4O4S/c1-13-8-14(2)22(15(3)9-13)28-23(30)16-4-6-18-21(10-16)34-25(27-18)29-24(31)26-17-5-7-19-20(11-17)33-12-32-19/h4-11H,12H2,1-3H3,(H,28,30)(H2,26,27,29,31)