N-(2,6-dimethylphenyl)-2-[(1-ethynylcyclohexyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(1-ethynylcyclohexyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(1-ethynylcyclohexyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[[[(1-ethynylcyclohexyl)amino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(1-ethynylcyclohexyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(1-ethynylcyclohexyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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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)NC4(CCCCC4)C#C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4(CCCCC4)C#C

InChI

InChI=1S/C25H26N4O2S/c1-4-25(13-6-5-7-14-25)29-23(31)28-24-26-19-12-11-18(15-20(19)32-24)22(30)27-21-16(2)9-8-10-17(21)3/h1,8-12,15H,5-7,13-14H2,2-3H3,(H,27,30)(H2,26,28,29,31)