N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C25H24N6OS2 MolecularWeight: 488.62766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C25H24N6OS2/c32-24(19-6-11-22-23(16-19)29-34-28-22)27-25(33)26-20-7-9-21(10-8-20)31-14-12-30(13-15-31)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H2,26,27,32,33)