N-(2-azanylcyclohexyl)-3-[(4-fluorophenyl)carbonylamino]-4-(thiomorpholin-4-ylmethyl)benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(4-fluorophenyl)carbonylamino]-4-(thiomorpholin-4-ylmethyl)benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[(4-fluorobenzoyl)amino]-4-(thiomorpholinomethyl)benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[(4-fluorophenyl)-oxomethyl]amino]-4-(thiomorpholin-4-ylmethyl)benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[(4-fluorobenzoyl)amino]-4-(thiomorpholin-4-ylmethyl)benzamide Traditional Name: N-(2-aminocyclohexyl)-3-[(4-fluorobenzoyl)amino]-4-(thiomorpholinomethyl)benzamide Formula: C25H31FN4O2S MolecularWeight: 470.602643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCSCC3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCSCC3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN4O2S/c26-20-9-7-17(8-10-20)24(31)29-23-15-18(25(32)28-22-4-2-1-3-21(22)27)5-6-19(23)16-30-11-13-33-14-12-30/h5-10,15,21-22H,1-4,11-14,16,27H2,(H,28,32)(H,29,31)