2-[4-(phenylmethyl)piperazin-1-yl]benzenecarbothioamide

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]benzenecarbothioamide Openeye Name: 2-(4-benzylpiperazin-1-yl)benzenecarbothioamide CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]benzenecarbothioamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)benzenecarbothioamide Traditional Name: 2-(4-benzylpiperazino)thiobenzamide Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3C(=S)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3C(=S)N

InChI

InChI=1S/C18H21N3S/c19-18(22)16-8-4-5-9-17(16)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,19,22)