1-(3-chloranyl-4-methyl-phenyl)-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[(4-morpholino-3-nitro-benzoyl)amino]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[(4-morpholino-3-nitro-benzoyl)amino]thiourea Formula: C19H20ClN5O4S MolecularWeight: 449.9112

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O4S/c1-12-2-4-14(11-15(12)20)21-19(30)23-22-18(26)13-3-5-16(17(10-13)25(27)28)24-6-8-29-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,26)(H2,21,23,30)