[4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2-(phenylmethyl)hexanoate

Systemtic Name: [4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2-(phenylmethyl)hexanoate Openeye Name: [4-[(4-hydroxy-3-methoxy-phenyl)methylamino]-4-thioxo-butyl] 2-benzylhexanoate CAS Name: 2-(phenylmethyl)hexanoic acid [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] ester IUPAC Name: [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] 2-benzylhexanoate Traditional Name: 2-benzylhexanoic acid [4-thioxo-4-(vanillylamino)butyl] ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=CC=C1)C(=O)OCCCC(=S)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCCCC(CC1=CC=CC=C1)C(=O)OCCCC(=S)NCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C25H33NO4S/c1-3-4-11-21(16-19-9-6-5-7-10-19)25(28)30-15-8-12-24(31)26-18-20-13-14-22(27)23(17-20)29-2/h5-7,9-10,13-14,17,21,27H,3-4,8,11-12,15-16,18H2,1-2H3,(H,26,31)