N-(2,6-dimethylphenyl)-2-(3-phenylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(3-phenylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(3-phenylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[[oxo-(3-phenylpropylamino)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(3-phenylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(3-phenylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-17-8-6-9-18(2)23(17)29-24(31)20-13-14-21-22(16-20)33-26(28-21)30-25(32)27-15-7-12-19-10-4-3-5-11-19/h3-6,8-11,13-14,16H,7,12,15H2,1-2H3,(H,29,31)(H2,27,28,30,32)