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

Systemtic Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-2-nitro-benzamide Openeye Name: N-[4-[4-(1-acetamidoethyl)phenyl]thiazol-2-yl]-3-methyl-2-nitro-benzamide CAS Name: N-[4-[4-(1-acetamidoethyl)phenyl]-2-thiazolyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide Traditional Name: N-[4-[4-(1-acetamidoethyl)phenyl]thiazol-2-yl]-3-methyl-2-nitro-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(C)NC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(C)NC(=O)C

InChI

InChI=1S/C21H20N4O4S/c1-12-5-4-6-17(19(12)25(28)29)20(27)24-21-23-18(11-30-21)16-9-7-15(8-10-16)13(2)22-14(3)26/h4-11,13H,1-3H3,(H,22,26)(H,23,24,27)