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

Systemtic Name: 1-(4-butylphenyl)-3-[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(dimethylamino)-5-nitro-benzoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(dimethylamino)-5-nitro-benzoyl]amino]thiourea Formula: C20H25N5O3S MolecularWeight: 415.5092

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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-])N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-4-5-6-14-7-9-15(10-8-14)21-20(29)23-22-19(26)17-13-16(25(27)28)11-12-18(17)24(2)3/h7-13H,4-6H2,1-3H3,(H,22,26)(H2,21,23,29)