1-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(4-ethoxy-3-nitro-benzoyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(4-ethoxy-3-nitrobenzoyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(4-ethoxy-3-nitro-benzoyl)amino]thiourea Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4S/c1-3-5-6-9-16-15(24)18-17-14(20)11-7-8-13(23-4-2)12(10-11)19(21)22/h7-8,10H,3-6,9H2,1-2H3,(H,17,20)(H2,16,18,24)