4-(phenethylcarbamoylamino)-5-phenyl-pentanethioate

Systemtic Name: 4-(phenethylcarbamoylamino)-5-phenyl-pentanethioate Openeye Name: 4-(phenethylcarbamoylamino)-5-phenyl-pentanethioate CAS Name: 4-[[oxo-(phenethylamino)methyl]amino]-5-phenylpentanethioate IUPAC Name: 4-(phenethylcarbamoylamino)-5-phenylpentanethioate Traditional Name: 4-(phenethylcarbamoylamino)-5-phenyl-thiovalerate Formula: C20H23N2O2S- MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CCC(=S)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC(CCC(=S)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O2S/c23-19(25)12-11-18(15-17-9-5-2-6-10-17)22-20(24)21-14-13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,23,25)(H2,21,22,24)/p-1