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

Systemtic Name: 1-[[(E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]-3-pentyl-thiourea Openeye Name: 1-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoprop-2-enyl]amino]-3-pentylthiourea IUPAC Name: 1-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acryloyl]amino]thiourea Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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