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

Systemtic Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[4-[4-(3-acetamidopropyl)phenyl]-2-thiazolyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-4-(methylamino)-3-nitro-benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S/c1-14(28)24-11-3-4-15-5-7-16(8-6-15)19-13-32-22(25-19)26-21(29)17-9-10-18(23-2)20(12-17)27(30)31/h5-10,12-13,23H,3-4,11H2,1-2H3,(H,24,28)(H,25,26,29)