1-cyclopentyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]thiourea Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c22-15(19-20-17(27)18-13-3-1-2-4-13)6-5-11-7-14(21(23)24)8-12-9-25-10-26-16(11)12/h5-8,13H,1-4,9-10H2,(H,19,22)(H2,18,20,27)/b6-5+