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

Systemtic Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-2-chloro-4-nitro-benzamide CAS Name: N-[4-[4-(3-acetamidopropyl)phenyl]-2-thiazolyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-2-chloro-4-nitro-benzamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN4O4S/c1-13(27)23-10-2-3-14-4-6-15(7-5-14)19-12-31-21(24-19)25-20(28)17-9-8-16(26(29)30)11-18(17)22/h4-9,11-12H,2-3,10H2,1H3,(H,23,27)(H,24,25,28)