1-(3,4-dimethoxyphenyl)-3-[2-[2-[methyl-[(3-nitrophenyl)methyl]amino]ethoxy]ethyl]thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[2-[2-[methyl-[(3-nitrophenyl)methyl]amino]ethoxy]ethyl]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[2-[2-[methyl-[(3-nitrophenyl)methyl]amino]ethoxy]ethyl]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[2-[2-[methyl-[(3-nitrophenyl)methyl]amino]ethoxy]ethyl]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[2-[2-[methyl-[(3-nitrophenyl)methyl]amino]ethoxy]ethyl]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[2-[2-[methyl-(3-nitrobenzyl)amino]ethoxy]ethyl]thiourea Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOCCNC(=S)NC1=CC(=C(C=C1)OC)OC)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCOCCNC(=S)NC1=CC(=C(C=C1)OC)OC)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-24(15-16-5-4-6-18(13-16)25(26)27)10-12-30-11-9-22-21(31)23-17-7-8-19(28-2)20(14-17)29-3/h4-8,13-14H,9-12,15H2,1-3H3,(H2,22,23,31)