1-[(3-nitrophenyl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(3-nitrophenyl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(3-nitrobenzoyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(3-nitrophenyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(3-nitrobenzoyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(3-nitrobenzoyl)amino]thiourea Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c1-2-3-4-8-14-13(21)16-15-12(18)10-6-5-7-11(9-10)17(19)20/h5-7,9H,2-4,8H2,1H3,(H,15,18)(H2,14,16,21)