4-[bis(2-hydroxyethyl)carbamoylamino]-5-phenyl-pentanethioate

Systemtic Name: 4-[bis(2-hydroxyethyl)carbamoylamino]-5-phenyl-pentanethioate Openeye Name: 4-[bis(2-hydroxyethyl)carbamoylamino]-5-phenyl-pentanethioate CAS Name: 4-[[[bis(2-hydroxyethyl)amino]-oxomethyl]amino]-5-phenylpentanethioate IUPAC Name: 4-[bis(2-hydroxyethyl)carbamoylamino]-5-phenylpentanethioate Traditional Name: 4-[bis(2-hydroxyethyl)carbamoylamino]-5-phenyl-thiovalerate Formula: C16H23N2O4S- MolecularWeight: 339.42982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCC(=S)[O-])NC(=O)N(CCO)CCO

Isomeric SMILES

C1=CC=C(C=C1)CC(CCC(=S)[O-])NC(=O)N(CCO)CCO

InChI

InChI=1S/C16H24N2O4S/c19-10-8-18(9-11-20)16(22)17-14(6-7-15(21)23)12-13-4-2-1-3-5-13/h1-5,14,19-20H,6-12H2,(H,17,22)(H,21,23)/p-1