(4-phenylphenyl)methyl 2-butyl-1-methylsulfanyl-imidazole-4-carboxylate; 1-(sulfinocarbamoylamino)propane

Systemtic Name: (4-phenylphenyl)methyl 2-butyl-1-methylsulfanyl-imidazole-4-carboxylate; 1-(sulfinocarbamoylamino)propane Openeye Name: (4-phenylphenyl)methyl 2-butyl-1-methylsulfanyl-imidazole-4-carboxylate; 1-(sulfinocarbamoylamino)propane CAS Name: 2-butyl-1-(methylthio)-4-imidazolecarboxylic acid (4-phenylphenyl)methyl ester; 1-[[oxo-(sulfinoamino)methyl]amino]propane IUPAC Name: (4-phenylphenyl)methyl 2-butyl-1-methylsulfanylimidazole-4-carboxylate; 1-(sulfinocarbamoylamino)propane Traditional Name: 2-butyl-1-(methylthio)imidazole-4-carboxylic acid (4-phenylbenzyl) ester; 1-(sulfinocarbamoylamino)propane Formula: C26H34N4O5S2 MolecularWeight: 546.70196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1SC)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3.CCCNC(=O)NS(=O)O

Isomeric SMILES

CCCCC1=NC(=CN1SC)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3.CCCNC(=O)NS(=O)O

InChI

InChI=1S/C22H24N2O2S.C4H10N2O3S/c1-3-4-10-21-23-20(15-24(21)27-2)22(25)26-16-17-11-13-19(14-12-17)18-8-6-5-7-9-18;1-2-3-5-4(7)6-10(8)9/h5-9,11-15H,3-4,10,16H2,1-2H3;2-3H2,1H3,(H,8,9)(H2,5,6,7)