7-(4-chlorophenyl)-4-ethyl-3,5-bis(oxidanyl)-6-(phenylmethylsulfanyl)-1-piperazin-1-yl-naphthalene-2-carboxamide

Systemtic Name: 7-(4-chlorophenyl)-4-ethyl-3,5-bis(oxidanyl)-6-(phenylmethylsulfanyl)-1-piperazin-1-yl-naphthalene-2-carboxamide Openeye Name: 6-benzylsulfanyl-7-(4-chlorophenyl)-4-ethyl-3,5-dihydroxy-1-piperazin-1-yl-naphthalene-2-carboxamide CAS Name: 7-(4-chlorophenyl)-4-ethyl-3,5-dihydroxy-6-(phenylmethylthio)-1-(1-piperazinyl)-2-naphthalenecarboxamide IUPAC Name: 6-benzylsulfanyl-7-(4-chlorophenyl)-4-ethyl-3,5-dihydroxy-1-piperazin-1-ylnaphthalene-2-carboxamide Traditional Name: 6-(benzylthio)-7-(4-chlorophenyl)-4-ethyl-3,5-dihydroxy-1-piperazino-2-naphthamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C2=CC(=C(C(=C21)O)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N5CCNCC5)C(=O)N)O

Isomeric SMILES

CCC1=C(C(=C(C2=CC(=C(C(=C21)O)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N5CCNCC5)C(=O)N)O

InChI

InChI=1S/C30H30ClN3O3S/c1-2-21-24-23(26(25(27(21)35)30(32)37)34-14-12-33-13-15-34)16-22(19-8-10-20(31)11-9-19)29(28(24)36)38-17-18-6-4-3-5-7-18/h3-11,16,33,35-36H,2,12-15,17H2,1H3,(H2,32,37)