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

Systemtic Name: 1-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]amino]thiourea CAS Name: 1-[[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[(E)-3-(5-nitro-2-furyl)acryloyl]amino]-3-p-cumenyl-thiourea Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-11(2)12-3-5-13(6-4-12)18-17(26)20-19-15(22)9-7-14-8-10-16(25-14)21(23)24/h3-11H,1-2H3,(H,19,22)(H2,18,20,26)/b9-7+