[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4OS2/c25-18(23-19-22-16-10-4-5-11-17(16)27-19)14-26-20(24-12-6-7-13-24)21-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,22,23,25)