1-(3-methylbutanoylamino)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(3-methylbutanoylamino)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(3-methylbutanoylamino)-3-(4-nitrophenyl)thiourea CAS Name: 1-[(3-methyl-1-oxobutyl)amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3-methylbutanoylamino)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(isovalerylamino)-3-(4-nitrophenyl)thiourea Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-8(2)7-11(17)14-15-12(20)13-9-3-5-10(6-4-9)16(18)19/h3-6,8H,7H2,1-2H3,(H,14,17)(H2,13,15,20)