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

Systemtic Name: 2-[(4-cyanophenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(4-cyanophenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(4-cyanoanilino)-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(4-cyanophenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(4-cyanophenyl)carbamoylamino]-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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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=CC=C(C=C4)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O2S/c1-14-10-15(2)22(16(3)11-14)29-23(31)18-6-9-20-21(12-18)33-25(28-20)30-24(32)27-19-7-4-17(13-26)5-8-19/h4-12H,1-3H3,(H,29,31)(H2,27,28,30,32)