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

Systemtic Name: [4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2-[(3,4-dimethylphenyl)methyl]benzoate Openeye Name: [4-[(4-hydroxy-3-methoxy-phenyl)methylamino]-4-thioxo-butyl] 2-[(3,4-dimethylphenyl)methyl]benzoate CAS Name: 2-[(3,4-dimethylphenyl)methyl]benzoic acid [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] ester IUPAC Name: [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] 2-[(3,4-dimethylphenyl)methyl]benzoate Traditional Name: 2-(3,4-dimethylbenzyl)benzoic acid [4-thioxo-4-(vanillylamino)butyl] ester Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CC=CC=C2C(=O)OCCCC(=S)NCC3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CC=CC=C2C(=O)OCCCC(=S)NCC3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C28H31NO4S/c1-19-10-11-21(15-20(19)2)16-23-7-4-5-8-24(23)28(31)33-14-6-9-27(34)29-18-22-12-13-25(30)26(17-22)32-3/h4-5,7-8,10-13,15,17,30H,6,9,14,16,18H2,1-3H3,(H,29,34)