4-(1-adamantylmethyl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(1-adamantylmethyl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(1-adamantylmethyl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(1-adamantylmethyl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(1-adamantylmethyl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(1-adamantylmethyl)-N-phenyl-piperazine-1-carbothioamide Formula: C22H31N3S MolecularWeight: 369.56664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC23CC4CC(C2)CC(C4)C3)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC23CC4CC(C2)CC(C4)C3)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C22H31N3S/c26-21(23-20-4-2-1-3-5-20)25-8-6-24(7-9-25)16-22-13-17-10-18(14-22)12-19(11-17)15-22/h1-5,17-19H,6-16H2,(H,23,26)