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

Systemtic Name: 1-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]thiourea Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C=CC1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)NNC(=O)/C=C/C1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5S/c1-9(2)16-15(25)18-17-13(20)4-3-10-5-12(19(21)22)6-11-7-23-8-24-14(10)11/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H2,16,18,25)/b4-3+