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

Systemtic Name: 2-(4-methyl-2-nitro-phenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide Openeye Name: 2-(4-methyl-2-nitro-phenoxy)-N-[(2-phenylthiazol-4-yl)methyl]butanamide CAS Name: 2-(4-methyl-2-nitrophenoxy)-N-[(2-phenyl-4-thiazolyl)methyl]butanamide IUPAC Name: 2-(4-methyl-2-nitrophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide Traditional Name: 2-(4-methyl-2-nitro-phenoxy)-N-[(2-phenylthiazol-4-yl)methyl]butyramide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CSC(=N1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NCC1=CSC(=N1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-3-18(28-19-10-9-14(2)11-17(19)24(26)27)20(25)22-12-16-13-29-21(23-16)15-7-5-4-6-8-15/h4-11,13,18H,3,12H2,1-2H3,(H,22,25)