N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[(2-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1OC)C2=NC=CN2C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1OC)C2=NC=CN2C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-14(30-16-10-8-15(9-11-16)25(27)28)21(26)23-19(20-22-12-13-24(20)2)17-6-4-5-7-18(17)29-3/h4-14,19H,1-3H3,(H,23,26)