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

Systemtic Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-2-chloro-4-nitro-benzamide CAS Name: N-[4-[4-(2-acetamidoethyl)phenyl]-2-thiazolyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-2-chloro-4-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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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