1-(2-methyl-4-nitro-phenyl)-3-(2-methylpropyl)thiourea

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-3-(2-methylpropyl)thiourea Openeye Name: 1-isobutyl-3-(2-methyl-4-nitro-phenyl)thiourea CAS Name: 1-(2-methyl-4-nitrophenyl)-3-(2-methylpropyl)thiourea IUPAC Name: 1-(2-methyl-4-nitrophenyl)-3-(2-methylpropyl)thiourea Traditional Name: 1-isobutyl-3-(2-methyl-4-nitro-phenyl)thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC(C)C

InChI

InChI=1S/C12H17N3O2S/c1-8(2)7-13-12(18)14-11-5-4-10(15(16)17)6-9(11)3/h4-6,8H,7H2,1-3H3,(H2,13,14,18)