1-(4-ethylphenyl)-3-(2-methyl-6-nitro-phenyl)thiourea

Systemtic Name: 1-(4-ethylphenyl)-3-(2-methyl-6-nitro-phenyl)thiourea Openeye Name: 1-(4-ethylphenyl)-3-(2-methyl-6-nitro-phenyl)thiourea CAS Name: 1-(4-ethylphenyl)-3-(2-methyl-6-nitrophenyl)thiourea IUPAC Name: 1-(4-ethylphenyl)-3-(2-methyl-6-nitrophenyl)thiourea Traditional Name: 1-(4-ethylphenyl)-3-(2-methyl-6-nitro-phenyl)thiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-3-12-7-9-13(10-8-12)17-16(22)18-15-11(2)5-4-6-14(15)19(20)21/h4-10H,3H2,1-2H3,(H2,17,18,22)