N-(2,1,3-benzothiadiazol-5-yl)-3-phenyl-pyrrolidine-1-carbothioamide

Systemtic Name: N-(2,1,3-benzothiadiazol-5-yl)-3-phenyl-pyrrolidine-1-carbothioamide Openeye Name: N-(2,1,3-benzothiadiazol-5-yl)-3-phenyl-pyrrolidine-1-carbothioamide CAS Name: N-(2,1,3-benzothiadiazol-5-yl)-3-phenyl-1-pyrrolidinecarbothioamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-yl)-3-phenylpyrrolidine-1-carbothioamide Traditional Name: 3-phenyl-N-piazthiol-5-yl-pyrrolidine-1-carbothioamide Formula: C17H16N4S2 MolecularWeight: 340.46574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CC=CC=C2)C(=S)NC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1CN(CC1C2=CC=CC=C2)C(=S)NC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C17H16N4S2/c22-17(18-14-6-7-15-16(10-14)20-23-19-15)21-9-8-13(11-21)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,18,22)