5-chloranyl-2-methoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]benzamide Formula: C19H17ClN4O3S2 MolecularWeight: 448.94628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3S2/c1-3-16(25)23-19-22-13-6-5-11(9-15(13)29-19)21-18(28)24-17(26)12-8-10(20)4-7-14(12)27-2/h4-9H,3H2,1-2H3,(H,22,23,25)(H2,21,24,26,28)