N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-3-4-12-28-19-11-10-16(13-20(19)27-2)14-23-21(26)18-15-24-22(29)25(18)17-8-6-5-7-9-17/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,23,26)(H,24,29)