N-(4-bromanyl-2-chloranyl-phenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(3-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Formula: C17H16BrCl2N3S MolecularWeight: 445.20404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H16BrCl2N3S/c18-12-4-5-16(15(20)10-12)21-17(24)23-8-6-22(7-9-23)14-3-1-2-13(19)11-14/h1-5,10-11H,6-9H2,(H,21,24)