naphthalen-1-yl-[1-(phenylmethyl)piperazin-2-yl]methanethiol

Systemtic Name: naphthalen-1-yl-[1-(phenylmethyl)piperazin-2-yl]methanethiol Openeye Name: (1-benzylpiperazin-2-yl)-(1-naphthyl)methanethiol CAS Name: 1-naphthalenyl-[1-(phenylmethyl)-2-piperazinyl]methanethiol IUPAC Name: (1-benzylpiperazin-2-yl)-naphthalen-1-ylmethanethiol Traditional Name: (1-benzylpiperazin-2-yl)-(1-naphthyl)methanethiol Formula: C22H24N2S MolecularWeight: 348.50436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(C2=CC=CC3=CC=CC=C32)S)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1)C(C2=CC=CC3=CC=CC=C32)S)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2S/c25-22(20-12-6-10-18-9-4-5-11-19(18)20)21-15-23-13-14-24(21)16-17-7-2-1-3-8-17/h1-12,21-23,25H,13-16H2