N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-5-piperidin-1-yl-benzamide

Systemtic Name: N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)phenyl]carbonylamino]-5-piperidin-1-yl-benzamide Openeye Name: N-[(E)-(4-fluorophenyl)methyleneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-5-(1-piperidyl)benzamide CAS Name: N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[[3-[(2-hydroxyethylthio)methyl]phenyl]-oxomethyl]amino]-5-(1-piperidinyl)benzamide IUPAC Name: N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-5-piperidin-1-ylbenzamide Traditional Name: N-[(E)-(4-fluorobenzylidene)amino]-2-[[3-[(2-hydroxyethylthio)methyl]benzoyl]amino]-5-piperidino-benzamide Formula: C29H31FN4O3S MolecularWeight: 534.644843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)CSCCO)C(=O)NN=CC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)CSCCO)C(=O)N/N=C/C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31FN4O3S/c30-24-9-7-21(8-10-24)19-31-33-29(37)26-18-25(34-13-2-1-3-14-34)11-12-27(26)32-28(36)23-6-4-5-22(17-23)20-38-16-15-35/h4-12,17-19,35H,1-3,13-16,20H2,(H,32,36)(H,33,37)/b31-19+