2-[(3-methylsulfanylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[(3-methylsulfanylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(3-methylsulfanylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[[3-(methylthio)anilino]-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(3-methylsulfanylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-[[3-(methylthio)phenyl]carbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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)NC4=CC(=CC=C4)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=CC=C4)SC)C

InChI

InChI=1S/C25H24N4O2S2/c1-14-10-15(2)22(16(3)11-14)28-23(30)17-8-9-20-21(12-17)33-25(27-20)29-24(31)26-18-6-5-7-19(13-18)32-4/h5-13H,1-4H3,(H,28,30)(H2,26,27,29,31)