1-(4-butylphenyl)-3-[(2-methoxy-5-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2-methoxy-5-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2-methoxy-5-nitro-benzoyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2-methoxy-5-nitrobenzoyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2-methoxy-5-nitro-benzoyl)amino]thiourea Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c1-3-4-5-13-6-8-14(9-7-13)20-19(28)22-21-18(24)16-12-15(23(25)26)10-11-17(16)27-2/h6-12H,3-5H2,1-2H3,(H,21,24)(H2,20,22,28)