N-[(2,4-dichlorophenyl)methyl]-4-phenethyl-piperazine-1-carbothioamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-4-phenethyl-piperazine-1-carbothioamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-4-phenethyl-piperazine-1-carbothioamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-4-phenethyl-1-piperazinecarbothioamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-4-phenethylpiperazine-1-carbothioamide Traditional Name: N-(2,4-dichlorobenzyl)-4-phenethyl-piperazine-1-carbothioamide Formula: C20H23Cl2N3S MolecularWeight: 408.38772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=S)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=S)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3S/c21-18-7-6-17(19(22)14-18)15-23-20(26)25-12-10-24(11-13-25)9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,26)