1-(4-nitrophenyl)-3-pentan-2-yl-thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-pentan-2-yl-thiourea Openeye Name: 1-(1-methylbutyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(4-nitrophenyl)-3-pentan-2-ylthiourea IUPAC Name: 1-(4-nitrophenyl)-3-pentan-2-ylthiourea Traditional Name: 1-(1-methylbutyl)-3-(4-nitrophenyl)thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-3-4-9(2)13-12(18)14-10-5-7-11(8-6-10)15(16)17/h5-9H,3-4H2,1-2H3,(H2,13,14,18)