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

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-(methylamino)-3-nitro-benzoyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[4-(methylamino)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-(methylamino)-3-nitro-benzoyl]amino]thiourea Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3S/c1-4-12-7-5-6-11(2)16(12)20-18(27)22-21-17(24)13-8-9-14(19-3)15(10-13)23(25)26/h5-10,19H,4H2,1-3H3,(H,21,24)(H2,20,22,27)