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

Systemtic Name: [4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2-[(4-tert-butylphenyl)methyl]benzoate Openeye Name: [4-[(4-hydroxy-3-methoxy-phenyl)methylamino]-4-thioxo-butyl] 2-[(4-tert-butylphenyl)methyl]benzoate CAS Name: 2-[(4-tert-butylphenyl)methyl]benzoic acid [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] ester IUPAC Name: [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] 2-[(4-tert-butylphenyl)methyl]benzoate Traditional Name: 2-(4-tert-butylbenzyl)benzoic acid [4-thioxo-4-(vanillylamino)butyl] ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO4S/c1-30(2,3)24-14-11-21(12-15-24)18-23-8-5-6-9-25(23)29(33)35-17-7-10-28(36)31-20-22-13-16-26(32)27(19-22)34-4/h5-6,8-9,11-16,19,32H,7,10,17-18,20H2,1-4H3,(H,31,36)