N-(5-chloranyl-2-methyl-phenyl)-4-phenethyl-piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-phenethyl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-phenethyl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methylphenyl)-4-phenethyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-phenethylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-phenethyl-piperazine-1-carbothioamide Formula: C20H24ClN3S MolecularWeight: 373.94266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3S/c1-16-7-8-18(21)15-19(16)22-20(25)24-13-11-23(12-14-24)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,25)