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

Systemtic Name: 2-[(4-bromophenyl)carbamoyl-cyclohexyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-bromophenyl)carbamoyl-cyclohexyl-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(4-bromoanilino)-oxomethyl]-cyclohexylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-bromophenyl)carbamoyl-cyclohexylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: N-benzyl-2-[(4-bromophenyl)carbamoyl-cyclohexyl-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C28H32BrN3O2S MolecularWeight: 554.54158

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C28H32BrN3O2S/c1-21-12-17-26(35-21)19-31(18-22-8-4-2-5-9-22)27(33)20-32(25-10-6-3-7-11-25)28(34)30-24-15-13-23(29)14-16-24/h2,4-5,8-9,12-17,25H,3,6-7,10-11,18-20H2,1H3,(H,30,34)