1-(4-methyl-3-nitro-phenyl)-3-propan-2-yl-thiourea

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-(4-methyl-3-nitro-phenyl)thiourea CAS Name: 1-(4-methyl-3-nitrophenyl)-3-propan-2-ylthiourea IUPAC Name: 1-(4-methyl-3-nitrophenyl)-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-(4-methyl-3-nitro-phenyl)thiourea Formula: C11H15N3O2S MolecularWeight: 253.3207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O2S/c1-7(2)12-11(17)13-9-5-4-8(3)10(6-9)14(15)16/h4-7H,1-3H3,(H2,12,13,17)