N-(2-chloranyl-6-methyl-phenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-(1-oxopent-4-ynylamino)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(pent-4-ynoylamino)-1,3-benzothiazole-6-carboxamide Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O2S/c1-3-4-8-17(25)23-20-22-15-10-9-13(11-16(15)27-20)19(26)24-18-12(2)6-5-7-14(18)21/h1,5-7,9-11H,4,8H2,2H3,(H,24,26)(H,22,23,25)