N-(4-methoxy-2-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S/c1-13-18(11-15-7-5-4-6-8-15)24-21(22-13)30-14(2)20(26)23-17-10-9-16(29-3)12-19(17)25(27)28/h4-10,12,14H,11H2,1-3H3,(H,22,24)(H,23,26)