1-(4-butylphenyl)-3-[(2-nitrophenyl)amino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2-nitrophenyl)amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-(2-nitroanilino)thiourea CAS Name: 1-(4-butylphenyl)-3-(2-nitroanilino)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(2-nitroanilino)thiourea Traditional Name: 1-(4-butylphenyl)-3-(2-nitroanilino)thiourea Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2S/c1-2-3-6-13-9-11-14(12-10-13)18-17(24)20-19-15-7-4-5-8-16(15)21(22)23/h4-5,7-12,19H,2-3,6H2,1H3,(H2,18,20,24)