N-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide

Systemtic Name: N-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Traditional Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28ClN3OS/c23-18-2-1-3-19(11-18)25-4-6-26(7-5-25)21(28)24-20(27)22-12-15-8-16(13-22)10-17(9-15)14-22/h1-3,11,15-17H,4-10,12-14H2,(H,24,27,28)