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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c1-9(2)6-7-14-13(21)16-15-12(18)10-4-3-5-11(8-10)17(19)20/h3-5,8-9H,6-7H2,1-2H3,(H,15,18)(H2,14,16,21)