1-tert-butyl-3-[[(E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-tert-butyl-3-[[(E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-tert-butyl-3-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acryloyl]amino]thiourea Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O3S/c1-16(2,3)18-15(24)20-19-13(21)5-4-10-8-11(17)14-12(9-10)22-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,19,21)(H2,18,20,24)/b5-4+