1-(3-ethylphenyl)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(3-ethylphenyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(3-ethylphenyl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(3-ethylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(3-ethylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(3-ethylphenyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H17N3O3S/c1-3-11-5-4-6-12(9-11)17-16(23)18-14-8-7-13(19(20)21)10-15(14)22-2/h4-10H,3H2,1-2H3,(H2,17,18,23)