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

Systemtic Name: 1-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea Openeye Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoprop-2-enyl]amino]-3-cyclopentylthiourea IUPAC Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acryloyl]amino]-3-cyclopentyl-thiourea Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H22ClN3O3S/c19-14-10-12(11-15-17(14)25-9-3-8-24-15)6-7-16(23)21-22-18(26)20-13-4-1-2-5-13/h6-7,10-11,13H,1-5,8-9H2,(H,21,23)(H2,20,22,26)/b7-6+