methyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-butoxy-3-methoxyphenyl)methylcarbamothioylcarbamoyl]benzoate Traditional Name: 4-[(4-butoxy-3-methoxy-benzyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C22H26N2O5S/c1-4-5-12-29-18-11-6-15(13-19(18)27-2)14-23-22(30)24-20(25)16-7-9-17(10-8-16)21(26)28-3/h6-11,13H,4-5,12,14H2,1-3H3,(H2,23,24,25,30)