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

Systemtic Name: N-(1-adamantyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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