4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylcarbamothioylamino)benzamide

Systemtic Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylcarbamothioylamino)benzamide Openeye Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylcarbamothioylamino)benzamide CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]benzamide IUPAC Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylcarbamothioylamino)benzamide Traditional Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-(phenylthiocarbamoylamino)benzamide Formula: C31H29F2N5OS MolecularWeight: 557.656666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)NC(=S)NC3=CC=CC=C3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)NC(=S)NC3=CC=CC=C3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H29F2N5OS/c32-24-11-6-21(7-12-24)29(22-8-13-25(33)14-9-22)38-18-16-37(17-19-38)28-15-10-23(30(34)39)20-27(28)36-31(40)35-26-4-2-1-3-5-26/h1-15,20,29H,16-19H2,(H2,34,39)(H2,35,36,40)