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

Systemtic Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea Openeye Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]thiourea CAS Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]thiourea Traditional Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]thiourea Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H29N5O3S/c1-13-6-5-7-17(14(13)2)21-20(29)23-22-19(26)16-12-15(25(27)28)8-9-18(16)24-10-3-4-11-24/h8-9,12-14,17H,3-7,10-11H2,1-2H3,(H,22,26)(H2,21,23,29)/t13-,14+,17+/m0/s1