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

Systemtic Name: 2-[(3-bromanyl-2-methyl-phenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(3-bromo-2-methyl-phenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(3-bromo-2-methylanilino)-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(3-bromo-2-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(3-bromo-2-methyl-phenyl)carbamoylamino]-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C25H23BrN4O2S MolecularWeight: 523.44472

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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=C(C(=CC=C4)Br)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O2S/c1-13-10-14(2)22(15(3)11-13)29-23(31)17-8-9-20-21(12-17)33-25(28-20)30-24(32)27-19-7-5-6-18(26)16(19)4/h5-12H,1-4H3,(H,29,31)(H2,27,28,30,32)