1-tert-butyl-3-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[4-(isoamylthio)-3-nitro-benzoyl]amino]thiourea Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NNC(=S)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NNC(=S)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O3S2/c1-11(2)8-9-26-14-7-6-12(10-13(14)21(23)24)15(22)19-20-16(25)18-17(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H,19,22)(H2,18,20,25)