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

Systemtic Name: 1-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]-3-pentyl-thiourea Openeye Name: 1-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoprop-2-enyl]amino]-3-pentylthiourea IUPAC Name: 1-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acryloyl]amino]thiourea Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C=CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)/C=C/C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H23N3O3S/c1-2-3-4-9-18-17(24)20-19-16(21)8-6-13-5-7-14-15(12-13)23-11-10-22-14/h5-8,12H,2-4,9-11H2,1H3,(H,19,21)(H2,18,20,24)/b8-6+