1-(3,4-dimethylphenyl)-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(4-morpholino-3-nitro-benzoyl)amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(4-morpholino-3-nitro-benzoyl)amino]thiourea Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O4S/c1-13-3-5-16(11-14(13)2)21-20(30)23-22-19(26)15-4-6-17(18(12-15)25(27)28)24-7-9-29-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H2,21,23,30)