1-[(2S)-5-methylhexan-2-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(2S)-5-methylhexan-2-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(1S)-1,4-dimethylpentyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(2S)-5-methylhexan-2-yl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(2S)-5-methylhexan-2-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(1S)-1,4-dimethylpentyl]-3-(4-nitrophenyl)thiourea Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O2S/c1-10(2)4-5-11(3)15-14(20)16-12-6-8-13(9-7-12)17(18)19/h6-11H,4-5H2,1-3H3,(H2,15,16,20)/t11-/m0/s1