1-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[(4-ethoxy-3-nitro-benzoyl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[(4-ethoxy-3-nitrobenzoyl)amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[(4-ethoxy-3-nitro-benzoyl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])C

InChI

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