N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[[4-(2-methylthiazol-4-yl)phenyl]methyl]-4-(4-nitroanilino)butanamide CAS Name: N-[[4-(2-methyl-4-thiazolyl)phenyl]methyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-4-(4-nitroanilino)butanamide Traditional Name: N-[4-(2-methylthiazol-4-yl)benzyl]-4-(4-nitroanilino)butyramide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-15-24-20(14-29-15)17-6-4-16(5-7-17)13-23-21(26)3-2-12-22-18-8-10-19(11-9-18)25(27)28/h4-11,14,22H,2-3,12-13H2,1H3,(H,23,26)