1-[(E)-[2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethoxy]-5-nitro-phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethoxy]-5-nitro-phenyl]methylideneamino]thiourea Openeye Name: [(E)-[2-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]-5-nitro-phenyl]methyleneamino]thiourea CAS Name: [(E)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]-5-nitrophenyl]methylideneamino]thiourea IUPAC Name: [(E)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]-5-nitrophenyl]methylideneamino]thiourea Traditional Name: [(E)-[2-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]-5-nitro-benzylidene]amino]thiourea Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=S)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=S)N

InChI

InChI=1S/C20H24N4O4S/c1-13(2)17-6-4-14(3)10-19(17)28-9-8-27-18-7-5-16(24(25)26)11-15(18)12-22-23-20(21)29/h4-7,10-13H,8-9H2,1-3H3,(H3,21,23,29)/b22-12+