3-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 3-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide CAS Name: 3-oxo-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-3-keto-2-[2-keto-2-(4-phenylpiperazino)ethyl]piperazine-1-carbothioamide Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=S)N1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-2-8-22-20(28)25-10-9-21-19(27)17(25)15-18(26)24-13-11-23(12-14-24)16-6-4-3-5-7-16/h2-7,17H,1,8-15H2,(H,21,27)(H,22,28)