N-[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]-N',N'-dimethyl-butanediamide

Systemtic Name: N-[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]-N',N'-dimethyl-butanediamide Openeye Name: N-[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]-N',N'-dimethyl-butanediamide CAS Name: N-[6-[(2,6-dimethylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]-N',N'-dimethylbutanediamide IUPAC Name: N-[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]-N',N'-dimethylbutanediamide Traditional Name: N-[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]-N',N'-dimethyl-succinamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)CCC(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-13-6-5-7-14(2)20(13)25-21(29)15-8-9-16-17(12-15)30-22(23-16)24-18(27)10-11-19(28)26(3)4/h5-9,12H,10-11H2,1-4H3,(H,25,29)(H,23,24,27)