4-(2-adamantyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H33N3OS/c1-15-3-4-21(27-2)20(9-15)24-23(28)26-7-5-25(6-8-26)22-18-11-16-10-17(13-18)14-19(22)12-16/h3-4,9,16-19,22H,5-8,10-14H2,1-2H3,(H,24,28)