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

Systemtic Name: 1-(4-butylphenyl)-3-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[4-(methylamino)-3-nitro-benzoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[4-(methylamino)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[4-(methylamino)-3-nitro-benzoyl]amino]thiourea Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3S/c1-3-4-5-13-6-9-15(10-7-13)21-19(28)23-22-18(25)14-8-11-16(20-2)17(12-14)24(26)27/h6-12,20H,3-5H2,1-2H3,(H,22,25)(H2,21,23,28)