2-(2-cyanophenyl)sulfanyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[3-[4-(4-fluorophenyl)piperazino]-3-keto-propyl]benzamide Formula: C27H25FN4O2S MolecularWeight: 488.576403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C27H25FN4O2S/c28-21-9-11-22(12-10-21)31-15-17-32(18-16-31)26(33)13-14-30-27(34)23-6-2-4-8-25(23)35-24-7-3-1-5-20(24)19-29/h1-12H,13-18H2,(H,30,34)