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

Systemtic Name: 1-cyclopentyl-3-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-cyclopentyl-3-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]thiourea CAS Name: 1-cyclopentyl-3-[[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-cyclopentyl-3-[[4-(isoamylthio)-3-nitro-benzoyl]amino]thiourea Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NNC(=S)NC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NNC(=S)NC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O3S2/c1-12(2)9-10-27-16-8-7-13(11-15(16)22(24)25)17(23)20-21-18(26)19-14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,20,23)(H2,19,21,26)