4-[2-[[4-(3,4-dimethoxyphenyl)-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]ethyl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-[[4-(3,4-dimethoxyphenyl)-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]ethyl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[2-[[4-(3,4-dimethoxyphenyl)-2,6-dioxo-cyclohexylidene]methylamino]ethyl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[2-[[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methylamino]ethyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-[[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methylamino]ethyl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-[2-[[4-(3,4-dimethoxyphenyl)-2,6-diketo-cyclohexylidene]methylamino]ethyl]-N-phenyl-piperazine-1-carbothioamide Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=S)NC4=CC=CC=C4)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=S)NC4=CC=CC=C4)C(=O)C2)OC

InChI

InChI=1S/C28H34N4O4S/c1-35-26-9-8-20(18-27(26)36-2)21-16-24(33)23(25(34)17-21)19-29-10-11-31-12-14-32(15-13-31)28(37)30-22-6-4-3-5-7-22/h3-9,18-19,21,29H,10-17H2,1-2H3,(H,30,37)