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

Systemtic Name: 1-(3-methylbutyl)-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-isopentyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-isoamyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-11(2)5-6-18-17(27)20-19-15(22)4-3-12-7-14(21(23)24)8-13-9-25-10-26-16(12)13/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,22)(H2,18,20,27)/b4-3+