N-(2-chloranyl-6-methyl-phenyl)-2-(prop-2-ynylcarbamoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(prop-2-ynylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(prop-2-ynylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-(prop-2-ynylamino)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(prop-2-ynylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(propargylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C19H15ClN4O2S MolecularWeight: 398.866

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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)NCC#C

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O2S/c1-3-9-21-18(26)24-19-22-14-8-7-12(10-15(14)27-19)17(25)23-16-11(2)5-4-6-13(16)20/h1,4-8,10H,9H2,2H3,(H,23,25)(H2,21,22,24,26)