N-(4-bromanyl-2-chloranyl-phenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(1-naphthylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(1-naphthalenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(1-naphthylmethyl)piperazine-1-carbothioamide Formula: C22H21BrClN3S MolecularWeight: 474.84424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=S)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=S)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C22H21BrClN3S/c23-18-8-9-21(20(24)14-18)25-22(28)27-12-10-26(11-13-27)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2,(H,25,28)