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

Systemtic Name: 2-(3-methylsulfanylpropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(3-methylsulfanylpropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[[3-(methylthio)propylamino]-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(3-methylsulfanylpropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-[3-(methylthio)propylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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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)NCCCSC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S2/c1-13-10-14(2)19(15(3)11-13)25-20(27)16-6-7-17-18(12-16)30-22(24-17)26-21(28)23-8-5-9-29-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,25,27)(H2,23,24,26,28)