1-(2,4-dimethylphenyl)-3-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[(E)-(4-morpholino-3-nitro-phenyl)methyleneamino]thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[(E)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[(E)-(4-morpholino-3-nitro-benzylidene)amino]thiourea Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NN=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c1-14-3-5-17(15(2)11-14)22-20(29)23-21-13-16-4-6-18(19(12-16)25(26)27)24-7-9-28-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,29)/b21-13+