1-(2,4-dimethyl-5-nitro-phenyl)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(2,4-dimethyl-5-nitrophenyl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(2,4-dimethyl-5-nitrophenyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(4-phenoxyphenyl)thiourea Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O3S/c1-14-12-15(2)20(24(25)26)13-19(14)23-21(28)22-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-13H,1-2H3,(H2,22,23,28)