N-butyl-2-[[3-methylbutyl(2-methylsulfanylethyl)carbamoyl]amino]-3-(4-phenylphenyl)propanamide

Systemtic Name: N-butyl-2-[[3-methylbutyl(2-methylsulfanylethyl)carbamoyl]amino]-3-(4-phenylphenyl)propanamide Openeye Name: N-butyl-2-[[isopentyl(2-methylsulfanylethyl)carbamoyl]amino]-3-(4-phenylphenyl)propanamide CAS Name: N-butyl-2-[[[3-methylbutyl-[2-(methylthio)ethyl]amino]-oxomethyl]amino]-3-(4-phenylphenyl)propanamide IUPAC Name: N-butyl-2-[[3-methylbutyl(2-methylsulfanylethyl)carbamoyl]amino]-3-(4-phenylphenyl)propanamide Traditional Name: N-butyl-2-[[isoamyl-[2-(methylthio)ethyl]carbamoyl]amino]-3-(4-phenylphenyl)propionamide Formula: C28H41N3O2S MolecularWeight: 483.70904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)N(CCC(C)C)CCSC

Isomeric SMILES

CCCCNC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)N(CCC(C)C)CCSC

InChI

InChI=1S/C28H41N3O2S/c1-5-6-17-29-27(32)26(30-28(33)31(19-20-34-4)18-16-22(2)3)21-23-12-14-25(15-13-23)24-10-8-7-9-11-24/h7-15,22,26H,5-6,16-21H2,1-4H3,(H,29,32)(H,30,33)