2-[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(4-cyanoanilino)-oxomethyl]-cyclohexylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-cyanophenyl)carbamoyl-cyclohexylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: N-benzyl-2-[(4-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C3CCCCC3)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C3CCCCC3)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H32N4O2S/c1-22-12-17-27(36-22)20-32(19-24-8-4-2-5-9-24)28(34)21-33(26-10-6-3-7-11-26)29(35)31-25-15-13-23(18-30)14-16-25/h2,4-5,8-9,12-17,26H,3,6-7,10-11,19-21H2,1H3,(H,31,35)