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

Systemtic Name: 1-tert-butyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-tert-butyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acryloyl]amino]thiourea Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C=CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)/C=C/C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H21N3O3S/c1-16(2,3)17-15(23)19-18-14(20)7-5-11-4-6-12-13(10-11)22-9-8-21-12/h4-7,10H,8-9H2,1-3H3,(H,18,20)(H2,17,19,23)/b7-5+