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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3-propoxy-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(=CC=C3)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-3-6-19(27)25-22-24-17-10-9-15(13-18(17)31-22)23-21(30)26-20(28)14-7-5-8-16(12-14)29-11-4-2/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,24,25,27)(H2,23,26,28,30)