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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S2/c1-4-5-19(27)25-22-24-17-11-10-16(12-18(17)30-22)23-21(29)26-20(28)15-8-6-14(7-9-15)13(2)3/h6-13H,4-5H2,1-3H3,(H,24,25,27)(H2,23,26,28,29)