1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-4-nitro-phenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15N3O5S/c1-22-14-7-11(19(20)21)3-4-12(14)18-16(25)17-8-10-2-5-13-15(6-10)24-9-23-13/h2-7H,8-9H2,1H3,(H2,17,18,25)