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

Systemtic Name: 1-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]-3-pentyl-thiourea Openeye Name: 1-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]-3-pentylthiourea IUPAC Name: 1-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]thiourea Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-2-3-4-7-18-17(27)20-19-15(22)6-5-12-8-14(21(23)24)9-13-10-25-11-26-16(12)13/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,19,22)(H2,18,20,27)/b6-5+