1-(6-methylheptan-2-yl)-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-(6-methylheptan-2-yl)-3-(3-nitrophenyl)thiourea Openeye Name: 1-(1,5-dimethylhexyl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(6-methylheptan-2-yl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(6-methylheptan-2-yl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(1,5-dimethylhexyl)-3-(3-nitrophenyl)thiourea Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S/c1-11(2)6-4-7-12(3)16-15(21)17-13-8-5-9-14(10-13)18(19)20/h5,8-12H,4,6-7H2,1-3H3,(H2,16,17,21)