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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-4-5-19(27)25-22-24-17-11-8-15(12-18(17)31-22)23-21(30)26-20(28)14-6-9-16(10-7-14)29-13(2)3/h6-13H,4-5H2,1-3H3,(H,24,25,27)(H2,23,26,28,30)