N-(1-phenyl-3-sulfanyl-propan-2-yl)-4-prop-2-ynyl-piperazine-1-carboxamide

Systemtic Name: N-(1-phenyl-3-sulfanyl-propan-2-yl)-4-prop-2-ynyl-piperazine-1-carboxamide Openeye Name: N-(1-benzyl-2-sulfanyl-ethyl)-4-prop-2-ynyl-piperazine-1-carboxamide CAS Name: N-(1-mercapto-3-phenylpropan-2-yl)-4-prop-2-ynyl-1-piperazinecarboxamide IUPAC Name: N-(1-phenyl-3-sulfanylpropan-2-yl)-4-prop-2-ynylpiperazine-1-carboxamide Traditional Name: N-(1-benzyl-2-mercapto-ethyl)-4-propargyl-piperazine-1-carboxamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)CS

Isomeric SMILES

C#CCN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)CS

InChI

InChI=1S/C17H23N3OS/c1-2-8-19-9-11-20(12-10-19)17(21)18-16(14-22)13-15-6-4-3-5-7-15/h1,3-7,16,22H,8-14H2,(H,18,21)