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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-nitro-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-nitro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-nitrophenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-nitro-phenyl)thiourea Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-9-2-4-11(12(6-9)18(19)20)17-15(23)16-10-3-5-13-14(7-10)22-8-21-13/h2-7H,8H2,1H3,(H2,16,17,23)