2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C21H21N5O4S MolecularWeight: 439.48754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c1-13-18(12-15-6-4-3-5-7-15)24-21(22-13)31-14(2)19(27)25-20(28)23-16-8-10-17(11-9-16)26(29)30/h3-11,14H,12H2,1-2H3,(H,22,24)(H2,23,25,27,28)