3-(3-methoxypropyl)-1-methyl-1-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea

Systemtic Name: 3-(3-methoxypropyl)-1-methyl-1-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea Openeye Name: 3-(3-methoxypropyl)-1-methyl-1-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]thiourea CAS Name: 3-(3-methoxypropyl)-1-methyl-1-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 3-(3-methoxypropyl)-1-methyl-1-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]thiourea Traditional Name: 3-(3-methoxypropyl)-1-methyl-1-[(5-nitro-2-pyrrolidino-benzoyl)amino]thiourea Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C17H25N5O4S/c1-20(17(27)18-8-5-11-26-2)19-16(23)14-12-13(22(24)25)6-7-15(14)21-9-3-4-10-21/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,27)(H,19,23)