[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C27H27N5OS2 MolecularWeight: 501.66618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N5OS2/c33-25(30-26-29-23-13-7-8-14-24(23)35-26)20-34-27(28-22-11-5-2-6-12-22)32-17-15-31(16-18-32)19-21-9-3-1-4-10-21/h1-14H,15-20H2,(H,29,30,33)