2-(cyclopropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(cyclopropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(cyclopropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(cyclopropylamino)-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(cyclopropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(cyclopropylcarbamoylamino)-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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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)NC4CC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4CC4)C

InChI

InChI=1S/C21H22N4O2S/c1-11-8-12(2)18(13(3)9-11)24-19(26)14-4-7-16-17(10-14)28-21(23-16)25-20(27)22-15-5-6-15/h4,7-10,15H,5-6H2,1-3H3,(H,24,26)(H2,22,23,25,27)