4-(1-adamantylmethyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1-adamantylmethyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(1-adamantylmethyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide CAS Name: 4-(1-adamantylmethyl)-N-(4-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1-adamantylmethyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(1-adamantylmethyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide Formula: C22H30ClN3S MolecularWeight: 404.0117

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC23CC4CC(C2)CC(C4)C3)C(=S)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC23CC4CC(C2)CC(C4)C3)C(=S)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H30ClN3S/c23-19-1-3-20(4-2-19)24-21(27)26-7-5-25(6-8-26)15-22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-15H2,(H,24,27)