N-(2,6-dimethylphenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-(1-oxopent-4-ynylamino)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-4-5-9-18(25)23-21-22-16-11-10-15(12-17(16)27-21)20(26)24-19-13(2)7-6-8-14(19)3/h1,6-8,10-12H,5,9H2,2-3H3,(H,24,26)(H,22,23,25)