2-[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[(4-cyanoanilino)-oxomethyl]-cyclohexylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-cyanophenyl)carbamoyl-cyclohexylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-benzyl-2-[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(2-thenyl)acetamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(CC1)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H30N4O2S/c29-18-22-13-15-24(16-14-22)30-28(34)32(25-10-5-2-6-11-25)21-27(33)31(20-26-12-7-17-35-26)19-23-8-3-1-4-9-23/h1,3-4,7-9,12-17,25H,2,5-6,10-11,19-21H2,(H,30,34)