1-[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-3-(3-nitrophenyl)thiourea CAS Name: 1-[[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]amino]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-3-(3-nitrophenyl)thiourea Formula: C16H14N4O6S MolecularWeight: 390.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC(=O)NNC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC(=O)NNC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6S/c21-15(8-24-12-4-5-13-14(7-12)26-9-25-13)18-19-16(27)17-10-2-1-3-11(6-10)20(22)23/h1-7H,8-9H2,(H,18,21)(H2,17,19,27)