N-[3,5-bis(chloranyl)phenyl]-4-[(4-tert-butylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-[(4-tert-butylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(4-tert-butylphenyl)methyl]-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(4-tert-butylphenyl)methyl]-N-(3,5-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylbenzyl)-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide Formula: C22H27Cl2N3S MolecularWeight: 436.44088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C22H27Cl2N3S/c1-22(2,3)17-6-4-16(5-7-17)15-26-8-10-27(11-9-26)21(28)25-20-13-18(23)12-19(24)14-20/h4-7,12-14H,8-11,15H2,1-3H3,(H,25,28)