N-methyl-4-(3-methylbutylsulfanyl)-N-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-N-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-methyl-N-[2-(4-morpholinoanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-methyl-4-(3-methylbutylthio)-N-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-methyl-4-(3-methylbutylsulfanyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[2-keto-2-(4-morpholinoanilino)ethyl]-N-methyl-3-nitro-benzamide Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O5S/c1-18(2)10-15-35-23-9-4-19(16-22(23)29(32)33)25(31)27(3)17-24(30)26-20-5-7-21(8-6-20)28-11-13-34-14-12-28/h4-9,16,18H,10-15,17H2,1-3H3,(H,26,30)