1,1-dihexyl-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1,1-dihexyl-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1,1-dihexyl-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1,1-dihexyl-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1,1-dihexyl-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1,1-dihexyl-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-4-6-8-10-14-22(15-11-9-7-5-2)20(27)21-18-13-12-17(23(24)25)16-19(18)26-3/h12-13,16H,4-11,14-15H2,1-3H3,(H,21,27)