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

Systemtic Name: 2-[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-sec-butyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[butan-2-yl-[(3-cyanoanilino)-oxomethyl]amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-benzyl-2-[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-sec-butyl-amino]-N-(2-thenyl)acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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