1-[(2S)-1-methoxypropan-2-yl]-3-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]thiourea

Systemtic Name: 1-[(2S)-1-methoxypropan-2-yl]-3-[[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-[(4-isopentylsulfanyl-3-nitro-benzoyl)amino]-3-[(1S)-2-methoxy-1-methyl-ethyl]thiourea CAS Name: 1-[(2S)-1-methoxypropan-2-yl]-3-[[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-1-methoxypropan-2-yl]-3-[[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]amino]thiourea Traditional Name: 1-[[4-(isoamylthio)-3-nitro-benzoyl]amino]-3-[(1S)-2-methoxy-1-methyl-ethyl]thiourea Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](COC)NC(=S)NNC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4S2/c1-11(2)7-8-27-15-6-5-13(9-14(15)21(23)24)16(22)19-20-17(26)18-12(3)10-25-4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,19,22)(H2,18,20,26)/t12-/m0/s1