2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C27H27N3O3S/c1-32-22-11-12-24(33-2)21(17-22)19-29-13-15-30(16-14-29)27(31)23-8-4-6-10-26(23)34-25-9-5-3-7-20(25)18-28/h3-12,17H,13-16,19H2,1-2H3