1-(4-butylphenyl)-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(E)-3-(5-nitro-2-furyl)acryloyl]amino]thiourea Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c1-2-3-4-13-5-7-14(8-6-13)19-18(27)21-20-16(23)11-9-15-10-12-17(26-15)22(24)25/h5-12H,2-4H2,1H3,(H,20,23)(H2,19,21,27)/b11-9+