3-[4-(3-methoxyphenyl)piperazin-1-yl]pentanethioamide

Systemtic Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]pentanethioamide Openeye Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]pentanethioamide CAS Name: 3-[4-(3-methoxyphenyl)-1-piperazinyl]pentanethioamide IUPAC Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]pentanethioamide Traditional Name: 3-[4-(3-methoxyphenyl)piperazino]thiovaleramide Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)N1CCN(CC1)C2=CC(=CC=C2)OC

Isomeric SMILES

CCC(CC(=S)N)N1CCN(CC1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H25N3OS/c1-3-13(12-16(17)21)18-7-9-19(10-8-18)14-5-4-6-15(11-14)20-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H2,17,21)