[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H19BrN4OS2 MolecularWeight: 475.42506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H19BrN4OS2/c21-14-8-9-16-17(12-14)28-19(23-16)24-18(26)13-27-20(25-10-4-5-11-25)22-15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,24,26)