3-oxidanylidene-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 3-oxidanylidene-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 3-oxo-N-phenethyl-piperazine-1-carbothioamide CAS Name: 3-oxo-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 3-oxo-N-phenethylpiperazine-1-carbothioamide Traditional Name: 3-keto-N-phenethyl-piperazine-1-carbothioamide Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C13H17N3OS/c17-12-10-16(9-8-14-12)13(18)15-7-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,17)(H,15,18)