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

Systemtic Name: (4-methoxyphenyl)-[4-(3,4,5-trimethoxyphenyl)carbothioylpiperazin-1-yl]methanethione Openeye Name: (4-methoxyphenyl)-[4-(3,4,5-trimethoxybenzenecarbothioyl)piperazin-1-yl]methanethione CAS Name: (4-methoxyphenyl)-[4-[sulfanylidene-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methanethione IUPAC Name: (4-methoxyphenyl)-[4-(3,4,5-trimethoxybenzenecarbothioyl)piperazin-1-yl]methanethione Traditional Name: (4-methoxyphenyl)-[4-(3,4,5-trimethoxythiobenzoyl)piperazino]methanethione Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H26N2O4S2/c1-25-17-7-5-15(6-8-17)21(29)23-9-11-24(12-10-23)22(30)16-13-18(26-2)20(28-4)19(14-16)27-3/h5-8,13-14H,9-12H2,1-4H3