1-(3-methylbutyl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-isoamyl-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NNC(=S)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NNC(=S)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O3S/c1-9(2)6-7-15-14(22)17-16-13(19)11-4-5-12(18(20)21)10(3)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H2,15,17,22)