4-(dimethylcarbamoylamino)-5-phenyl-pentanethioate

Systemtic Name: 4-(dimethylcarbamoylamino)-5-phenyl-pentanethioate Openeye Name: 4-(dimethylcarbamoylamino)-5-phenyl-pentanethioate CAS Name: 4-[[dimethylamino(oxo)methyl]amino]-5-phenylpentanethioate IUPAC Name: 4-(dimethylcarbamoylamino)-5-phenylpentanethioate Traditional Name: 4-(dimethylcarbamoylamino)-5-phenyl-thiovalerate Formula: C14H19N2O2S- MolecularWeight: 279.37786

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC(CCC(=S)[O-])CC1=CC=CC=C1

Isomeric SMILES

CN(C)C(=O)NC(CCC(=S)[O-])CC1=CC=CC=C1

InChI

InChI=1S/C14H20N2O2S/c1-16(2)14(18)15-12(8-9-13(17)19)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,15,18)(H,17,19)/p-1