3-butyl-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea

Systemtic Name: 3-butyl-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Openeye Name: 3-butyl-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea CAS Name: 3-butyl-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea IUPAC Name: 3-butyl-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Traditional Name: 3-butyl-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)C(C)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N(C)[C@H](C)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O2S/c1-4-5-9-15-14(20)16(3)11(2)12-7-6-8-13(10-12)17(18)19/h6-8,10-11H,4-5,9H2,1-3H3,(H,15,20)/t11-/m1/s1