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

Systemtic Name: 2-(aminocarbonylamino)-N-butyl-6-methyl-3-(4-phenylphenyl)-3-(2-phenylsulfanylethyl)heptanamide Openeye Name: N-butyl-6-methyl-3-(4-phenylphenyl)-3-(2-phenylsulfanylethyl)-2-ureido-heptanamide CAS Name: N-butyl-2-(carbamoylamino)-6-methyl-3-(4-phenylphenyl)-3-[2-(phenylthio)ethyl]heptanamide IUPAC Name: N-butyl-2-(carbamoylamino)-6-methyl-3-(4-phenylphenyl)-3-(2-phenylsulfanylethyl)heptanamide Traditional Name: N-butyl-6-methyl-3-(4-phenylphenyl)-3-[2-(phenylthio)ethyl]-2-ureido-enanthamide Formula: C33H43N3O2S MolecularWeight: 545.77842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C(CCC(C)C)(CCSC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CCCCNC(=O)C(C(CCC(C)C)(CCSC1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C33H43N3O2S/c1-4-5-23-35-31(37)30(36-32(34)38)33(21-20-25(2)3,22-24-39-29-14-10-7-11-15-29)28-18-16-27(17-19-28)26-12-8-6-9-13-26/h6-19,25,30H,4-5,20-24H2,1-3H3,(H,35,37)(H3,34,36,38)