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

Systemtic Name: 1-(4-butylphenyl)-3-[(2,4-dinitrophenyl)amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-(2,4-dinitroanilino)thiourea CAS Name: 1-(4-butylphenyl)-3-(2,4-dinitroanilino)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(2,4-dinitroanilino)thiourea Traditional Name: 1-(4-butylphenyl)-3-(2,4-dinitroanilino)thiourea Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-2-3-4-12-5-7-13(8-6-12)18-17(27)20-19-15-10-9-14(21(23)24)11-16(15)22(25)26/h5-11,19H,2-4H2,1H3,(H2,18,20,27)