[4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2-[(4-chlorophenyl)methyl]benzoate

Systemtic Name: [4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2-[(4-chlorophenyl)methyl]benzoate Openeye Name: [4-[(4-hydroxy-3-methoxy-phenyl)methylamino]-4-thioxo-butyl] 2-[(4-chlorophenyl)methyl]benzoate CAS Name: 2-[(4-chlorophenyl)methyl]benzoic acid [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] ester IUPAC Name: [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] 2-[(4-chlorophenyl)methyl]benzoate Traditional Name: 2-(4-chlorobenzyl)benzoic acid [4-thioxo-4-(vanillylamino)butyl] ester Formula: C26H26ClNO4S MolecularWeight: 484.00694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=S)CCCOC(=O)C2=CC=CC=C2CC3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=S)CCCOC(=O)C2=CC=CC=C2CC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C26H26ClNO4S/c1-31-24-16-19(10-13-23(24)29)17-28-25(33)7-4-14-32-26(30)22-6-3-2-5-20(22)15-18-8-11-21(27)12-9-18/h2-3,5-6,8-13,16,29H,4,7,14-15,17H2,1H3,(H,28,33)