1-cyclopentyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-cyclopentyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]thiourea Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H18N4O5S/c21-15(18-19-16(26)17-11-3-1-2-4-11)6-5-10-7-13-14(25-9-24-13)8-12(10)20(22)23/h5-8,11H,1-4,9H2,(H,18,21)(H2,17,19,26)/b6-5+