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

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(2-chloro-5-nitro-benzoyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(2-chloro-5-nitrobenzoyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(2-chloro-5-nitro-benzoyl)amino]thiourea Formula: C13H17ClN4O3S MolecularWeight: 344.81708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O3S/c1-2-3-4-7-15-13(22)17-16-12(19)10-8-9(18(20)21)5-6-11(10)14/h5-6,8H,2-4,7H2,1H3,(H,16,19)(H2,15,17,22)