N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-[4-(acetamidomethyl)phenyl]-2-thiazolyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C20H19N5O4S/c1-12(26)22-10-13-3-5-14(6-4-13)18-11-30-20(23-18)24-19(27)16-9-15(25(28)29)7-8-17(16)21-2/h3-9,11,21H,10H2,1-2H3,(H,22,26)(H,23,24,27)