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

Systemtic Name: N-(4-ethoxyphenyl)-3-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-3-oxo-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide Traditional Name: 3-keto-2-[2-keto-2-(4-phenylpiperazino)ethyl]-N-p-phenetyl-piperazine-1-carbothioamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3S/c1-2-33-21-10-8-19(9-11-21)27-25(34)30-13-12-26-24(32)22(30)18-23(31)29-16-14-28(15-17-29)20-6-4-3-5-7-20/h3-11,22H,2,12-18H2,1H3,(H,26,32)(H,27,34)