1-(4-ethanoylphenyl)-3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]thiourea Openeye Name: 1-(4-acetylphenyl)-3-(4-morpholinosulfonyl-2-nitro-anilino)thiourea CAS Name: 1-(4-acetylphenyl)-3-[4-(4-morpholinylsulfonyl)-2-nitroanilino]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-(4-morpholin-4-ylsulfonyl-2-nitroanilino)thiourea Traditional Name: 1-(4-acetylphenyl)-3-(4-morpholinosulfonyl-2-nitro-anilino)thiourea Formula: C19H21N5O6S2 MolecularWeight: 479.52994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O6S2/c1-13(25)14-2-4-15(5-3-14)20-19(31)22-21-17-7-6-16(12-18(17)24(26)27)32(28,29)23-8-10-30-11-9-23/h2-7,12,21H,8-11H2,1H3,(H2,20,22,31)