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

Systemtic Name: 1-cyclopentyl-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea Openeye Name: 1-cyclopentyl-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]thiourea CAS Name: 1-cyclopentyl-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]thiourea Traditional Name: 1-cyclopentyl-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]thiourea Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C17H23N5O3S/c23-16(19-20-17(26)18-12-5-1-2-6-12)14-11-13(22(24)25)7-8-15(14)21-9-3-4-10-21/h7-8,11-12H,1-6,9-10H2,(H,19,23)(H2,18,20,26)