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

Systemtic Name: 1-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]-3-pentyl-thiourea CAS Name: 1-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]thiourea Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3S/c1-2-3-4-9-18-17(26)20-19-16(23)14-12-13(22(24)25)7-8-15(14)21-10-5-6-11-21/h7-8,12H,2-6,9-11H2,1H3,(H,19,23)(H2,18,20,26)