2-(aminocarbonylamino)-N-butyl-6-methyl-3-(2-methylsulfanylethyl)-3-(4-phenylphenyl)heptanamide

Systemtic Name: 2-(aminocarbonylamino)-N-butyl-6-methyl-3-(2-methylsulfanylethyl)-3-(4-phenylphenyl)heptanamide Openeye Name: N-butyl-6-methyl-3-(2-methylsulfanylethyl)-3-(4-phenylphenyl)-2-ureido-heptanamide CAS Name: N-butyl-2-(carbamoylamino)-6-methyl-3-[2-(methylthio)ethyl]-3-(4-phenylphenyl)heptanamide IUPAC Name: N-butyl-2-(carbamoylamino)-6-methyl-3-(2-methylsulfanylethyl)-3-(4-phenylphenyl)heptanamide Traditional Name: N-butyl-6-methyl-3-[2-(methylthio)ethyl]-3-(4-phenylphenyl)-2-ureido-enanthamide Formula: C28H41N3O2S MolecularWeight: 483.70904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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