3-butan-2-yloxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide

Systemtic Name: 3-butan-2-yloxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-sec-butoxy-benzamide CAS Name: 3-butan-2-yloxy-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butan-2-yloxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3-sec-butoxy-benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)CC

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)CC

InChI

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