1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-tert-butyl-thiourea

Systemtic Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-tert-butyl-thiourea Openeye Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-tert-butyl-thiourea CAS Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-tert-butylthiourea IUPAC Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-tert-butyl-thiourea Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H19N3O3S/c1-15(2,3)16-14(22)18-17-13(19)7-5-10-4-6-11-12(8-10)21-9-20-11/h4-8H,9H2,1-3H3,(H,17,19)(H2,16,18,22)/b7-5+