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

Systemtic Name: 2-(1-adamantylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(1-adamantylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(1-adamantylcarbamoylamino)-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C28H32N4O2S MolecularWeight: 488.64428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C28H32N4O2S/c1-15-6-16(2)24(17(3)7-15)30-25(33)21-4-5-22-23(11-21)35-27(29-22)31-26(34)32-28-12-18-8-19(13-28)10-20(9-18)14-28/h4-7,11,18-20H,8-10,12-14H2,1-3H3,(H,30,33)(H2,29,31,32,34)