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

Systemtic Name: 1-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-pentyl-thiourea Openeye Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoprop-2-enyl]amino]-3-pentylthiourea IUPAC Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acryloyl]amino]thiourea Formula: C18H24ClN3O3S MolecularWeight: 397.91946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O3S/c1-2-3-4-8-20-18(26)22-21-16(23)7-6-13-11-14(19)17-15(12-13)24-9-5-10-25-17/h6-7,11-12H,2-5,8-10H2,1H3,(H,21,23)(H2,20,22,26)/b7-6+