1-heptan-2-yl-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-heptan-2-yl-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-methylhexyl)thiourea CAS Name: 1-heptan-2-yl-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-heptan-2-yl-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-methylhexyl)thiourea Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C15H23N3O3S/c1-4-5-6-7-11(2)16-15(22)17-13-9-8-12(18(19)20)10-14(13)21-3/h8-11H,4-7H2,1-3H3,(H2,16,17,22)