4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-N-(4-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c28-22(26-12-4-5-13-26)18-25-14-16-27(17-15-25)23(30)24-19-8-10-21(11-9-19)29-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2,(H,24,30)