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

Systemtic Name: 1-tert-butyl-3-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[3-nitro-4-(p-tolylsulfanyl)benzoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[4-[(4-methylphenyl)thio]-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[3-nitro-4-(p-tolylthio)benzoyl]amino]thiourea Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NNC(=S)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NNC(=S)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S2/c1-12-5-8-14(9-6-12)28-16-10-7-13(11-15(16)23(25)26)17(24)21-22-18(27)20-19(2,3)4/h5-11H,1-4H3,(H,21,24)(H2,20,22,27)