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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C18H19BrClN3OS MolecularWeight: 440.78496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H19BrClN3OS/c1-24-15-4-2-3-14(12-15)22-7-9-23(10-8-22)18(25)21-17-6-5-13(19)11-16(17)20/h2-6,11-12H,7-10H2,1H3,(H,21,25)