1-tert-butyl-3-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-tert-butyl-3-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-tert-butyl-3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acryloyl]amino]thiourea Formula: C17H22ClN3O3S MolecularWeight: 383.89288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C=CC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C17H22ClN3O3S/c1-17(2,3)19-16(25)21-20-14(22)6-5-11-9-12(18)15-13(10-11)23-7-4-8-24-15/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,22)(H2,19,21,25)/b6-5+