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

Systemtic Name: N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-[4-(butanoylamino)phenyl]thiazol-2-yl]-3-nitro-benzamide CAS Name: 3-nitro-N-[4-[4-(1-oxobutylamino)phenyl]-2-thiazolyl]benzamide IUPAC Name: N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-butyramidophenyl)thiazol-2-yl]-3-nitro-benzamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-2-4-18(25)21-15-9-7-13(8-10-15)17-12-29-20(22-17)23-19(26)14-5-3-6-16(11-14)24(27)28/h3,5-12H,2,4H2,1H3,(H,21,25)(H,22,23,26)