N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-[(4-nitrophenyl)thio]propionamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S2/c1-12(30-17-9-7-16(8-10-17)24(27)28)19(26)23-20-22-18(11-29-20)14-3-5-15(6-4-14)21-13(2)25/h3-12H,1-2H3,(H,21,25)(H,22,23,26)