2-[3-(3-methoxyphenyl)propanoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[3-(3-methoxyphenyl)propanoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[3-(3-methoxyphenyl)propanoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[3-(3-methoxyphenyl)propanoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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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)CCC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C27H27N3O3S/c1-16-12-17(2)25(18(3)13-16)30-26(32)20-9-10-22-23(15-20)34-27(28-22)29-24(31)11-8-19-6-5-7-21(14-19)33-4/h5-7,9-10,12-15H,8,11H2,1-4H3,(H,30,32)(H,28,29,31)