4-methoxy-N-[2-oxidanylidene-2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-N-phenyl-benzamide

Systemtic Name: 4-methoxy-N-[2-oxidanylidene-2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-N-phenyl-benzamide Openeye Name: 4-methoxy-N-[2-oxo-2-(4-tetrahydrothiopyran-4-ylpiperazin-1-yl)ethyl]-N-phenyl-benzamide CAS Name: 4-methoxy-N-[2-oxo-2-[4-(4-thianyl)-1-piperazinyl]ethyl]-N-phenylbenzamide IUPAC Name: 4-methoxy-N-[2-oxo-2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-N-phenylbenzamide Traditional Name: N-[2-keto-2-(4-tetrahydrothiopyran-4-ylpiperazino)ethyl]-4-methoxy-N-phenyl-benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC(=O)N2CCN(CC2)C3CCSCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC(=O)N2CCN(CC2)C3CCSCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3S/c1-31-23-9-7-20(8-10-23)25(30)28(22-5-3-2-4-6-22)19-24(29)27-15-13-26(14-16-27)21-11-17-32-18-12-21/h2-10,21H,11-19H2,1H3