2-(prop-2-ynylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(prop-2-ynylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(prop-2-ynylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[oxo-(prop-2-ynylamino)methyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(prop-2-ynylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-(propargylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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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)NCC#C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-5-8-22-20(27)25-21-23-16-7-6-15(11-17(16)28-21)19(26)24-18-13(3)9-12(2)10-14(18)4/h1,6-7,9-11H,8H2,2-4H3,(H,24,26)(H2,22,23,25,27)