N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]benzamide Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H26N4O2S2/c1-5-6-19(28)26-22-25-17-12-11-16(13-18(17)31-22)24-21(30)27-20(29)14-7-9-15(10-8-14)23(2,3)4/h7-13H,5-6H2,1-4H3,(H,25,26,28)(H2,24,27,29,30)