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

Systemtic Name: 2-(pent-4-ynoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(pent-4-ynoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(1-oxopent-4-ynylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(pent-4-ynoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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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)CCC#C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-5-6-7-19(26)24-22-23-17-9-8-16(12-18(17)28-22)21(27)25-20-14(3)10-13(2)11-15(20)4/h1,8-12H,6-7H2,2-4H3,(H,25,27)(H,23,24,26)