N-(4-bromophenyl)-4-(4-methoxyphenyl)carbothioyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-(4-methoxyphenyl)carbothioyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-(4-methoxybenzenecarbothioyl)piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[(4-methoxyphenyl)-sulfanylidenemethyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-(4-methoxybenzenecarbothioyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(4-methoxythiobenzoyl)piperazine-1-carbothioamide Formula: C19H20BrN3OS2 MolecularWeight: 450.4156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3OS2/c1-24-17-8-2-14(3-9-17)18(25)22-10-12-23(13-11-22)19(26)21-16-6-4-15(20)5-7-16/h2-9H,10-13H2,1H3,(H,21,26)