1-cyclopentyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-cyclopentyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-cyclopentyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-cyclopentyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-cyclopentyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acryloyl]amino]thiourea Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)C=CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)/C=C/C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H21N3O3S/c21-16(19-20-17(24)18-13-3-1-2-4-13)8-6-12-5-7-14-15(11-12)23-10-9-22-14/h5-8,11,13H,1-4,9-10H2,(H,19,21)(H2,18,20,24)/b8-6+