N-(2,6-dimethylphenyl)-2-(prop-2-ynylcarbamoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(prop-2-ynylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(prop-2-ynylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[[oxo-(prop-2-ynylamino)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(prop-2-ynylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(propargylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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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)NCC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-4-10-21-19(26)24-20-22-15-9-8-14(11-16(15)27-20)18(25)23-17-12(2)6-5-7-13(17)3/h1,5-9,11H,10H2,2-3H3,(H,23,25)(H2,21,22,24,26)