N-(1-adamantyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carbothioamide Openeye Name: N-(1-adamantyl)-3-methyl-4-(m-tolyl)piperazine-1-carbothioamide CAS Name: N-(1-adamantyl)-3-methyl-4-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1-adamantyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(1-adamantyl)-3-methyl-4-(m-tolyl)piperazine-1-carbothioamide Formula: C23H33N3S MolecularWeight: 383.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3S/c1-16-4-3-5-21(8-16)26-7-6-25(15-17(26)2)22(27)24-23-12-18-9-19(13-23)11-20(10-18)14-23/h3-5,8,17-20H,6-7,9-15H2,1-2H3,(H,24,27)