1-(4-butylphenyl)-3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(4-ethoxy-3-nitro-benzoyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(4-ethoxy-3-nitrobenzoyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(4-ethoxy-3-nitro-benzoyl)amino]thiourea Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-3-5-6-14-7-10-16(11-8-14)21-20(29)23-22-19(25)15-9-12-18(28-4-2)17(13-15)24(26)27/h7-13H,3-6H2,1-2H3,(H,22,25)(H2,21,23,29)