2-[(3-cyanophenyl)carbamoyl-propyl-amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3-cyanophenyl)carbamoyl-propyl-amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-propyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]-propylamino]-N-[(3-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-propyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H28N4O2S/c1-3-13-29(26(32)28-23-11-7-10-22(15-23)16-27)19-25(31)30(17-21-8-5-4-6-9-21)18-24-20(2)12-14-33-24/h4-12,14-15H,3,13,17-19H2,1-2H3,(H,28,32)