4-(2-adamantyl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-phenyl-piperazine-1-carbothioamide Formula: C21H29N3S MolecularWeight: 355.54006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C21H29N3S/c25-21(22-19-4-2-1-3-5-19)24-8-6-23(7-9-24)20-17-11-15-10-16(13-17)14-18(20)12-15/h1-5,15-18,20H,6-14H2,(H,22,25)