2-[2-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-(4-p-anisoylpiperazine-1-carbonyl)phenyl]thio]benzonitrile Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H23N3O3S/c1-32-21-12-10-19(11-13-21)25(30)28-14-16-29(17-15-28)26(31)22-7-3-5-9-24(22)33-23-8-4-2-6-20(23)18-27/h2-13H,14-17H2,1H3