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

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-(thiomorpholin-4-ylmethyl)benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-(thiomorpholinomethyl)benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(thiomorpholin-4-ylmethyl)benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-(thiomorpholin-4-ylmethyl)benzamide Traditional Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-(thiomorpholinomethyl)benzamide Formula: C29H40N4O2S MolecularWeight: 508.7185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCSCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCSCC4

InChI

InChI=1S/C29H40N4O2S/c1-29(2,3)23-12-10-20(11-13-23)27(34)32-26-18-21(28(35)31-25-7-5-4-6-24(25)30)8-9-22(26)19-33-14-16-36-17-15-33/h8-13,18,24-25H,4-7,14-17,19,30H2,1-3H3,(H,31,35)(H,32,34)