2-[(2-propylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[(2-propylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(2-propylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[oxo-(2-propylanilino)methyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(2-propylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-[(2-propylphenyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NC4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCCC1=CC=CC=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C27H28N4O2S/c1-5-8-19-9-6-7-10-21(19)28-26(33)31-27-29-22-12-11-20(15-23(22)34-27)25(32)30-24-17(3)13-16(2)14-18(24)4/h6-7,9-15H,5,8H2,1-4H3,(H,30,32)(H2,28,29,31,33)