butyl 2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]ethanoate

Systemtic Name: butyl 2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]ethanoate Openeye Name: butyl 2-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]acetate CAS Name: 2-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]acetic acid butyl ester IUPAC Name: butyl 2-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]acetate Traditional Name: 2-(vanillylthiocarbamoylamino)acetic acid butyl ester Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CNC(=S)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCOC(=O)CNC(=S)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C15H22N2O4S/c1-3-4-7-21-14(19)10-17-15(22)16-9-11-5-6-12(18)13(8-11)20-2/h5-6,8,18H,3-4,7,9-10H2,1-2H3,(H2,16,17,22)