1-(1,3-benzodioxol-5-yl)-3-(4-ethoxy-2-nitro-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-ethoxy-2-nitro-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-ethoxy-2-nitro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-ethoxy-2-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-ethoxy-2-nitrophenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-ethoxy-2-nitro-phenyl)thiourea Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-2-22-11-4-5-12(13(8-11)19(20)21)18-16(25)17-10-3-6-14-15(7-10)24-9-23-14/h3-8H,2,9H2,1H3,(H2,17,18,25)