N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C22H15N5OS3 MolecularWeight: 461.5824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C22H15N5OS3/c28-20(15-9-10-16-18(11-15)27-31-26-16)25-22(29)23-12-13-5-7-14(8-6-13)21-24-17-3-1-2-4-19(17)30-21/h1-11H,12H2,(H2,23,25,28,29)