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

Systemtic Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-4-chloro-3-nitro-benzamide CAS Name: N-[4-[4-(2-acetamidoethyl)phenyl]-2-thiazolyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-4-chloro-3-nitro-benzamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O4S/c1-12(26)22-9-8-13-2-4-14(5-3-13)17-11-30-20(23-17)24-19(27)15-6-7-16(21)18(10-15)25(28)29/h2-7,10-11H,8-9H2,1H3,(H,22,26)(H,23,24,27)