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

Systemtic Name: 1-butyl-3-[2-[(4-nitrophenyl)amino]ethyl]thiourea Openeye Name: 1-butyl-3-[2-(4-nitroanilino)ethyl]thiourea CAS Name: 1-butyl-3-[2-(4-nitroanilino)ethyl]thiourea IUPAC Name: 1-butyl-3-[2-(4-nitroanilino)ethyl]thiourea Traditional Name: 1-butyl-3-[2-(4-nitroanilino)ethyl]thiourea Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCCNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NCCNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O2S/c1-2-3-8-15-13(20)16-10-9-14-11-4-6-12(7-5-11)17(18)19/h4-7,14H,2-3,8-10H2,1H3,(H2,15,16,20)