1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-(5-nitro-2-furyl)acryloyl]amino]thiourea Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C=CC2=CC=C(O2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N4O4S/c1-3-12-6-4-5-11(2)16(12)18-17(26)20-19-14(22)9-7-13-8-10-15(25-13)21(23)24/h4-10H,3H2,1-2H3,(H,19,22)(H2,18,20,26)/b9-7+