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

Systemtic Name: 1-(3-methylbutyl)-3-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[4-(isoamylthio)-3-nitro-benzoyl]amino]thiourea Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O3S2/c1-12(2)7-9-19-18(26)21-20-17(23)14-5-6-16(15(11-14)22(24)25)27-10-8-13(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,20,23)(H2,19,21,26)