[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C28H30N4O3S/c33-27(29-24-11-12-25-26(19-24)35-18-17-34-25)21-36-28(30-23-9-5-2-6-10-23)32-15-13-31(14-16-32)20-22-7-3-1-4-8-22/h1-12,19H,13-18,20-21H2,(H,29,33)