2-[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]-cyclohexylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-cyclohexylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-benzyl-2-[(3-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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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