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

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-2-[(4-nitrophenyl)thio]propionamide Formula: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)CC(=O)N)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)CC(=O)N)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O4S2/c1-8(24-11-4-2-10(3-5-11)18(21)22)13(20)17-14-16-9(7-23-14)6-12(15)19/h2-5,7-8H,6H2,1H3,(H2,15,19)(H,16,17,20)