N-(2,6-dimethylphenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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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)NCCC4=CN=CN4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCC4=CN=CN4

InChI

InChI=1S/C22H22N6O2S/c1-13-4-3-5-14(2)19(13)27-20(29)15-6-7-17-18(10-15)31-22(26-17)28-21(30)24-9-8-16-11-23-12-25-16/h3-7,10-12H,8-9H2,1-2H3,(H,23,25)(H,27,29)(H2,24,26,28,30)