1-(3,3-diphenylpropanoylamino)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(3,3-diphenylpropanoylamino)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(3,3-diphenylpropanoylamino)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[(1-oxo-3,3-diphenylpropyl)amino]thiourea IUPAC Name: 1-(3,3-diphenylpropanoylamino)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(3,3-diphenylpropanoylamino)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4S/c1-31-21-14-18(27(29)30)12-13-20(21)24-23(32)26-25-22(28)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,15H2,1H3,(H,25,28)(H2,24,26,32)