1-[(2R)-1-methoxypropan-2-yl]-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea Openeye Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]thiourea Traditional Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]thiourea Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

C[C@H](COC)NC(=S)NNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C16H23N5O4S/c1-11(10-25-2)17-16(26)19-18-15(22)13-9-12(21(23)24)5-6-14(13)20-7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,22)(H2,17,19,26)/t11-/m1/s1