(3-bromophenyl)-[4-(3,4,5-trimethoxyphenyl)carbothioylpiperazin-1-yl]methanethione

Systemtic Name: (3-bromophenyl)-[4-(3,4,5-trimethoxyphenyl)carbothioylpiperazin-1-yl]methanethione Openeye Name: (3-bromophenyl)-[4-(3,4,5-trimethoxybenzenecarbothioyl)piperazin-1-yl]methanethione CAS Name: (3-bromophenyl)-[4-[sulfanylidene-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methanethione IUPAC Name: (3-bromophenyl)-[4-(3,4,5-trimethoxybenzenecarbothioyl)piperazin-1-yl]methanethione Traditional Name: (3-bromophenyl)-[4-(3,4,5-trimethoxythiobenzoyl)piperazino]methanethione Formula: C21H23BrN2O3S2 MolecularWeight: 495.45292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=S)N2CCN(CC2)C(=S)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=S)N2CCN(CC2)C(=S)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O3S2/c1-25-17-12-15(13-18(26-2)19(17)27-3)21(29)24-9-7-23(8-10-24)20(28)14-5-4-6-16(22)11-14/h4-6,11-13H,7-10H2,1-3H3