5-phenyl-4-[(4-prop-2-ynylpiperazin-1-yl)carbonylamino]pentanethioate

Systemtic Name: 5-phenyl-4-[(4-prop-2-ynylpiperazin-1-yl)carbonylamino]pentanethioate Openeye Name: 5-phenyl-4-[(4-prop-2-ynylpiperazine-1-carbonyl)amino]pentanethioate CAS Name: 4-[[oxo-(4-prop-2-ynyl-1-piperazinyl)methyl]amino]-5-phenylpentanethioate IUPAC Name: 5-phenyl-4-[(4-prop-2-ynylpiperazine-1-carbonyl)amino]pentanethioate Traditional Name: 5-phenyl-4-[(4-propargylpiperazine-1-carbonyl)amino]thiovalerate Formula: C19H24N3O2S- MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C(=O)NC(CCC(=S)[O-])CC2=CC=CC=C2

Isomeric SMILES

C#CCN1CCN(CC1)C(=O)NC(CCC(=S)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O2S/c1-2-10-21-11-13-22(14-12-21)19(24)20-17(8-9-18(23)25)15-16-6-4-3-5-7-16/h1,3-7,17H,8-15H2,(H,20,24)(H,23,25)/p-1