4-imidazol-1-yl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-imidazol-1-yl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[2-[4-(2-methyl-4-thiazolyl)phenyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c1-15-25-19(13-31-15)17-4-2-16(3-5-17)8-9-24-22(28)18-6-7-20(21(12-18)27(29)30)26-11-10-23-14-26/h2-7,10-14H,8-9H2,1H3,(H,24,28)