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

Systemtic Name: 1-(4-butylphenyl)-3-[(3-nitrophenyl)amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-(3-nitroanilino)thiourea CAS Name: 1-(4-butylphenyl)-3-(3-nitroanilino)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(3-nitroanilino)thiourea Traditional Name: 1-(4-butylphenyl)-3-(3-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/c1-2-3-5-13-8-10-14(11-9-13)18-17(24)20-19-15-6-4-7-16(12-15)21(22)23/h4,6-12,19H,2-3,5H2,1H3,(H2,18,20,24)