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

Systemtic Name: 4-(2-adamantyl)-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-phenethyl-piperazine-1-carbothioamide Formula: C23H33N3S MolecularWeight: 383.59322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NCCC5=CC=CC=C5

InChI

InChI=1S/C23H33N3S/c27-23(24-7-6-17-4-2-1-3-5-17)26-10-8-25(9-11-26)22-20-13-18-12-19(15-20)16-21(22)14-18/h1-5,18-22H,6-16H2,(H,24,27)