2-methoxy-N-[4-methylsulfanyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-30-19-6-4-3-5-17(19)20(26)24-18(11-14-31-2)21(27)23-13-12-22-15-7-9-16(10-8-15)25(28)29/h3-10,18,22H,11-14H2,1-2H3,(H,23,27)(H,24,26)