2-[(3-methylphenyl)methylcarbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[(3-methylphenyl)methylcarbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(m-tolylmethylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[[(3-methylphenyl)methylamino]-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(3-methylphenyl)methylcarbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-[(3-methylbenzyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NC4=C(C=C(C=C4C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C26H26N4O2S/c1-15-6-5-7-19(12-15)14-27-25(32)30-26-28-21-9-8-20(13-22(21)33-26)24(31)29-23-17(3)10-16(2)11-18(23)4/h5-13H,14H2,1-4H3,(H,29,31)(H2,27,28,30,32)