N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)OC

InChI

InChI=1S/C20H21N5O3S2/c1-3-4-5-18(26)22-15-9-7-13(11-17(15)28-2)21-20(29)23-19(27)12-6-8-14-16(10-12)25-30-24-14/h6-11H,3-5H2,1-2H3,(H,22,26)(H2,21,23,27,29)