3-chloranyl-N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazino]phenyl]benzothiophene-2-carboxamide Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)OC

InChI

InChI=1S/C28H26ClN3O4S/c1-35-21-15-18(16-22(17-21)36-2)28(34)32-13-11-31(12-14-32)20-9-7-19(8-10-20)30-27(33)26-25(29)23-5-3-4-6-24(23)37-26/h3-10,15-17H,11-14H2,1-2H3,(H,30,33)